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July 20, 2019, at 05:55 PM by DAM -
Added lines 23-24:

July 2019: CFOUR v2.1 is available! This version includes numerous enhancements and stability improvements.

February 25, 2018, at 11:33 AM by MEH -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until the end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until the end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). \\

February 25, 2018, at 11:33 AM by MEH -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until the end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until the end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). \\

February 25, 2018, at 11:32 AM by 141.52.120.124 -
Added line 23:
October 02, 2017, at 04:29 PM by 128.62.51.25 -
Added lines 23-24:

October 2017: Warning: Intel 2017 compilers have a serious bug affecting CFOUR, please use Intel 2016 or 2018.

February 28, 2017, at 08:41 AM by 79.206.234.36 -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until the end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). \\

February 27, 2017, at 06:38 PM by 79.206.232.205 -
Added line 15:
February 27, 2017, at 06:38 PM by 79.206.232.205 -
Changed lines 14-16 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)).
For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

February 27, 2017, at 06:38 PM by 79.206.232.205 -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (until end of 2016 at the University of Texas at Austin, USA, now at the Quantum Theory Project of the University of Florida at Gainesville, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

May 17, 2015, at 08:26 PM by MEH -
Changed line 11 from:

A number of methodological developments have been added to the program in the last two decades. These include: analytic second derivatives for all coupled-cluster approaches up to full CCSDT; the calculation of NMR chemical shifts at MP and CC levels of theory; the calculation of anharmonic force fields (via numerical differentation of analytic derivatives); relativistic corrections; corrections to the Born-Oppenheimer approximation at the CC level; nonadiabatic coupling within the EOM framework, and several others. \\

to:

A number of methodological developments have been added to the program in the last two decades. These include: analytic second derivatives for all coupled-cluster approaches up to full CCSDT, the calculation of NMR chemical shifts at MP and CC levels of theory, the calculation of anharmonic force fields (via numerical differentation of analytic derivatives), relativistic corrections, corrections to the Born-Oppenheimer approximation at the CC level, nonadiabatic coupling within the EOM framework, and several others. \\

June 20, 2014, at 11:36 PM by MEH -
Changed lines 22-24 from:

March 2014: CFOUR V2.00beta is available for testing.

to:

March 2014: CFOUR V2.00beta is available for testing. Please note that this is a public beta test, i.e. this version of CFOUR is not meant for real applications.

March 04, 2014, at 10:43 PM by MEH -
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March 04, 2014, at 10:43 PM by MEH -
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March 2014:

to:

March 2014: CFOUR V2.00beta is available for testing.

March 04, 2014, at 10:42 PM by MEH -
Changed line 21 from:
to:

March 2014:

March 04, 2014, at 10:41 PM by MEH -
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to:
March 04, 2014, at 10:41 PM by MEH -
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July 15, 2013, at 08:40 AM by MEH -
Added line 27:
July 15, 2013, at 08:39 AM by MEH -
Deleted lines 26-33:
March 26, 2012, at 10:32 AM by MEH -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

March 25, 2012, at 11:42 PM by 67.79.220.27 -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

March 25, 2012, at 11:41 PM by 67.79.220.27 - changed link to stanton
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

July 22, 2011, at 04:12 AM by MEH -
Deleted lines 1-2:

http://www.northeastern.edu/advance/about_nu_advance/nsf_advance/images/nsf1.gif CFOUR is partially supported by the U.S. National Science Foundation

July 22, 2011, at 02:49 AM by 70.243.116.206 -
Deleted lines 17-18:

Partial support for development of the CFOUR program is provided by the United States National Science Foundation.

July 22, 2011, at 02:48 AM by 70.243.116.206 -
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Welcome to the Website of CFOUR !

to:

Welcome to the Website of CFOUR

July 22, 2011, at 02:48 AM by 70.243.116.206 -
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http://www.northeastern.edu/advance/about_nu_advance/nsf_advance/images/nsf1.gif "hi"

to:

http://www.northeastern.edu/advance/about_nu_advance/nsf_advance/images/nsf1.gif CFOUR is partially supported by the U.S. National Science Foundation

July 22, 2011, at 02:47 AM by 70.243.116.206 -
Changed line 3 from:

http://www.northeastern.edu/advance/about_nu_advance/nsf_advance/images/nsf1.gif

to:

http://www.northeastern.edu/advance/about_nu_advance/nsf_advance/images/nsf1.gif "hi"

July 22, 2011, at 02:44 AM by 70.243.116.206 -
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http://dc-cdn.virtacore.com/nsf.jpg

to:

http://www.northeastern.edu/advance/about_nu_advance/nsf_advance/images/nsf1.gif

July 22, 2011, at 02:42 AM by 70.243.116.206 -
Changed lines 3-4 from:

http://www.google.com/imgres?imgurl=http://dc-cdn.virtacore.com/nsf.jpg&imgrefurl=http://dailycaller.com/2010/06/17/national-science-foundation-funds-report-calling-health-care-opponents-racist/&usg=__J-jpl-bSgWtEd6svXaWnh8t58DM=&h=692&w=692&sz=41&hl=en&start=0&sig2=S7b17zmeHstOAI-ZjnxvFg&zoom=1&tbnid=eE--fMgGtH27SM:&tbnh=150&tbnw=150&ei=7cUoTof2J7D9sQK3qK2ACw&prev=/search%3Fq%3Dnational%2Bscience%2Bfoundation%26um%3D1%26hl%3Den%26client%3Dgmail%26sa%3DN%26rls%3Dgm%26biw%3D1153%26bih%3D655%26tbm%3Disch&um=1&itbs=1&iact=hc&vpx=510&vpy=120&dur=30&hovh=225&hovw=225&tx=127&ty=119&page=1&ndsp=15&ved=1t:429,r:2,s:0

to:

http://dc-cdn.virtacore.com/nsf.jpg

July 22, 2011, at 02:40 AM by 70.243.116.206 -
Changed lines 3-5 from:

http://www.pmichaud.com/img/misc/pc.jpg Paper clips are fun to work wit

to:

http://www.google.com/imgres?imgurl=http://dc-cdn.virtacore.com/nsf.jpg&imgrefurl=http://dailycaller.com/2010/06/17/national-science-foundation-funds-report-calling-health-care-opponents-racist/&usg=__J-jpl-bSgWtEd6svXaWnh8t58DM=&h=692&w=692&sz=41&hl=en&start=0&sig2=S7b17zmeHstOAI-ZjnxvFg&zoom=1&tbnid=eE--fMgGtH27SM:&tbnh=150&tbnw=150&ei=7cUoTof2J7D9sQK3qK2ACw&prev=/search%3Fq%3Dnational%2Bscience%2Bfoundation%26um%3D1%26hl%3Den%26client%3Dgmail%26sa%3DN%26rls%3Dgm%26biw%3D1153%26bih%3D655%26tbm%3Disch&um=1&itbs=1&iact=hc&vpx=510&vpy=120&dur=30&hovh=225&hovw=225&tx=127&ty=119&page=1&ndsp=15&ved=1t:429,r:2,s:0

July 22, 2011, at 02:35 AM by 70.243.116.206 -
Added lines 2-4:

http://www.pmichaud.com/img/misc/pc.jpg Paper clips are fun to work wit

June 30, 2011, at 04:57 PM by 71.41.203.91 -
Changed lines 16-17 from:

Partial support of the CFOUR program is provided by the United States National Science Foundation.

to:

Partial support for development of the CFOUR program is provided by the United States National Science Foundation.

June 30, 2011, at 04:55 PM by 71.41.203.91 -
June 30, 2011, at 04:55 PM by 71.41.203.91 -
Added lines 15-16:

Partial support of the CFOUR program is provided by the United States National Science Foundation.

June 14, 2011, at 05:51 PM by MEH -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

June 14, 2011, at 05:51 PM by MEH -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

March 15, 2011, at 11:52 PM by MEH -
Changed line 8 from:

Studies of excited electronic states and other "multireference" problems are possible using the equation-of-motion (EOM) coupled-cluster techniques. These techniques which are closely related to (and in some cases identical to) so-called Fock space multireference coupled-cluster theory, offer a powerful means to study open-shell systems and decided advantages when configuration mixing is important. At present, these include the EOMEE approach for singlet and triplet excited states of a closed-shell molecule, and the EOMIP and EOMEA methods that are best applied to low-spin doublet states. Analytic derivatives are available for these methods.\\

to:

Studies of excited electronic states and other "multireference" problems are possible using the equation-of-motion (EOM) coupled-cluster techniques. These techniques which are closely related to (and in some cases identical to) so-called Fock space multireference coupled-cluster theory, offer a powerful means to study open-shell systems and decided advantages when configuration mixing is important. At present, these include the EOMEE approach for singlet and triplet excited states, and the EOMIP and EOMEA methods that are best applied to low-spin doublet states. Analytic derivatives are available for these methods.\\

March 15, 2011, at 11:51 PM by MEH -
Changed line 22 from:

January 2011: The mailing list system changed to a new server, all previous messages and subscribers have been transfered.

to:

January 2011: The mailing list system/server has changed, all previous messages and subscribers have been transfered.

March 15, 2011, at 11:50 PM by MEH -
Added lines 19-21:
Deleted lines 25-27:

December 2009: There is now a search function for the mailing list available.

March 15, 2011, at 11:50 PM by MEH -
Changed lines 19-24 from:

7 June 2010: The first production release is available.

15 December 2009: There is now a search function for the mailing list available.

to:

January 2011: The mailing list system changed to a new server, all previous messages and subscribers have been transfered.

June 2010: The first production release is available.

December 2009: There is now a search function for the mailing list available.

December 10, 2010, at 04:07 AM by 71.20.84.134 -
Deleted line 24:
November 29, 2010, at 01:11 PM by 134.93.197.79 -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

November 29, 2010, at 01:10 PM by 134.93.197.79 -
Changed line 21 from:

7 June 2010: The first production release is available.

to:

7 June 2010: The first production release is available.

September 22, 2010, at 06:52 PM by MEH -
Deleted lines 21-23:

5 February 2010: A public release candidate is available.

September 06, 2010, at 07:40 PM by MEH -
Changed line 8 from:

Studies of excited electronic states and other "multireference" problems are possible using the equation-of-motion (EOM) coupled-cluster techniques. These techniques. which are closely related to (and in some cases identical to) so-called Fock space multireference coupled-cluster theory, offer a powerful means to study open-shell systems and decided advantages when configuration mixing is important. At present, these include the EOMEE approach for singlet and triplet excited states of a closed-shell molecule, and the EOMIP and EOMEA methods that are best applied to low-spin doublet states. Analytic derivatives are available for these methods.\\

to:

Studies of excited electronic states and other "multireference" problems are possible using the equation-of-motion (EOM) coupled-cluster techniques. These techniques which are closely related to (and in some cases identical to) so-called Fock space multireference coupled-cluster theory, offer a powerful means to study open-shell systems and decided advantages when configuration mixing is important. At present, these include the EOMEE approach for singlet and triplet excited states of a closed-shell molecule, and the EOMIP and EOMEA methods that are best applied to low-spin doublet states. Analytic derivatives are available for these methods.\\

September 06, 2010, at 07:40 PM by MEH -
Changed line 8 from:

Studies of excited electronic states and other "multireference" problems are possible using the equation-of-motion (EOM) coupled-cluster techniques. These techniques. which are closely related to (and in some cases identical to) so-called Fock space multireference coupled-cluster theory, offer a powerful means to study open-shell systems, and offer decided advantages when configuration mixing is important. At present, these include the EOMEE approach for singlet and triplet excited states of a closed-shell molecule, and the EOMIP and EOMEA methods that are best applied to low-spin doublet states. Analytic derivatives are available for these methods.\\

to:

Studies of excited electronic states and other "multireference" problems are possible using the equation-of-motion (EOM) coupled-cluster techniques. These techniques. which are closely related to (and in some cases identical to) so-called Fock space multireference coupled-cluster theory, offer a powerful means to study open-shell systems and decided advantages when configuration mixing is important. At present, these include the EOMEE approach for singlet and triplet excited states of a closed-shell molecule, and the EOMIP and EOMEA methods that are best applied to low-spin doublet states. Analytic derivatives are available for these methods.\\

August 22, 2010, at 12:19 AM by MEH -
Changed line 5 from:

program package for performing high-level quantum mechanical calculations on atoms and molecules. The major strength of the program suite is its rather sophisticated arsenal of high-level ab initio methods for the calculation of atomic and molecular properties. Virtually all approaches based on Møller-Plesset (MP) perturbation theory and the coupled-cluster approximation (CC) are available; most of these have complementary analytic derivative approaches within the package as well.\\

to:

program package for performing high-level quantum chemical calculations on atoms and molecules. The major strength of the program suite is its rather sophisticated arsenal of high-level ab initio methods for the calculation of atomic and molecular properties. Virtually all approaches based on Møller-Plesset (MP) perturbation theory and the coupled-cluster approximation (CC) are available; most of these have complementary analytic derivative approaches within the package as well.\\

June 07, 2010, at 08:11 AM by MEH -
Changed lines 21-24 from:

5 February 2010: A public release candidate is available.

to:

7 June 2010: The first production release is available.

5 February 2010: A public release candidate is available.

June 01, 2010, at 06:36 AM by MEH -
Deleted lines 25-26:

27 April 2009: A public beta release is available.

May 11, 2010, at 08:06 PM by MEH -
Changed line 11 from:

A number of methodological developments have been added to the program in the last fifteen years. These include: analytic second derivatives for all coupled-cluster approaches up to full CCSDT; the calculation of NMR chemical shifts at MP and CC levels of theory; the calculation of anharmonic force fields (via numerical differentation of analytic derivatives); relativistic corrections; corrections to the Born-Oppenheimer approximation at the CC level; nonadiabatic coupling within the EOM framework, and several others. \\

to:

A number of methodological developments have been added to the program in the last two decades. These include: analytic second derivatives for all coupled-cluster approaches up to full CCSDT; the calculation of NMR chemical shifts at MP and CC levels of theory; the calculation of anharmonic force fields (via numerical differentation of analytic derivatives); relativistic corrections; corrections to the Born-Oppenheimer approximation at the CC level; nonadiabatic coupling within the EOM framework, and several others. \\

May 11, 2010, at 08:05 PM by MEH -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

March 10, 2010, at 08:32 PM by MEH -
Changed lines 21-23 from:

5 February 2010: A public release candidate is available now.

to:

5 February 2010: A public release candidate is available.

Changed line 27 from:

27 April 2009: A public beta release is available now.

to:

27 April 2009: A public beta release is available.

March 10, 2010, at 08:31 PM by MEH -
Deleted lines 28-29:

27 April 2009: There is now a mailing list available.

February 05, 2010, at 10:15 PM by MEH -
Changed line 14 from:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). There is no charge to obtain CFOUR; one must simply sign a license agreement. \\

to:

CFOUR is not a commercial code. It is rather a program that is undergoing development; new techniques and improvements are constantly being made (mainly in the groups of John F. Stanton (University of Texas at Austin, USA) and Jürgen Gauss (Universität Mainz, Germany)). For non-commercial purposes there is no charge to obtain CFOUR; one must simply sign a license agreement. \\

February 05, 2010, at 08:06 AM by MEH -
Added line 19:
February 05, 2010, at 08:06 AM by MEH -
Changed line 20 from:

10 February 2010: A public release candidate is available now.

to:

5 February 2010: A public release candidate is available now.

February 05, 2010, at 08:06 AM by MEH -
Changed lines 20-22 from:
to:

10 February 2010: A public release candidate is available now.

Changed line 26 from:

27 April 2009: A public beta release is available now.

to:

27 April 2009: A public beta release is available now.

December 15, 2009, at 07:55 PM by MEH -
Changed lines 21-24 from:

27 April 2009: A public beta release is available now.

27 April 2009: There is now a mailing list available.

to:

15 December 2009: There is now a search function for the mailing list available.

27 April 2009: A public beta release is available now.

27 April 2009: There is now a mailing list available.

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Page last modified on July 20, 2019, at 05:55 PM
This page has been visited 146846 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.