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Open-shell Energy Calculations Using PSA-Or SR-CC Methods

Main.Open-shellEnergyCalculationsUsingPSA-OrSR-CCMethods History

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November 29, 2010, at 03:21 PM by 134.93.197.79 -
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November 29, 2010, at 03:21 PM by 134.93.197.79 -
Changed lines 1-5 from:
[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/psa/ZMAT.ccsd | input]] and
[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/psa/out.ccsd | output]] for PSA-CCSD calculation

[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/sr/ZMAT.ccsd | input]] and
[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/sr/out.ccsd | output]] for SR-CCSD calculation
to:
[[http://slater.chemie.uni-mainz.de/cfour/download/energy/psa/ZMAT.ccsd | input]] and
[[http://slater.chemie.uni-mainz.de/cfour/download/energy/psa/out.ccsd | output]] for PSA-CCSD calculation

[[http://slater.chemie.uni-mainz.de/cfour/download/energy/sr/ZMAT.ccsd | input]] and
[[http://slater.chemie.uni-mainz.de/cfour/download/energy/sr/out.ccsd | output]] for SR-CCSD calculation
Restore
November 12, 2010, at 02:18 PM by Jagau -
Changed lines 1-5 from:
[[http://tcserv.chemie.uni-mainz.de/download/energy/psa/ZMAT.ccsd | input]] and
[[http://tcserv.chemie.uni-mainz.de/download/energy/psa/out.ccsd | output]] for PSA-CCSD calculation

[[http://tcserv.chemie.uni-mainz.de/download/energy/sr/ZMAT.ccsd | input]] and
[[http://tcserv.chemie.uni-mainz.de/download/energy/sr/out.ccsd | output]] for SR-CCSD calculation
to:
[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/psa/ZMAT.ccsd | input]] and
[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/psa/out.ccsd | output]] for PSA-CCSD calculation

[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/sr/ZMAT.ccsd | input]] and
[[http://quantum.chemie.uni-mainz.de/aces2/download/energy/sr/out.ccsd | output]] for SR-CCSD calculation
Restore
January 21, 2009, at 10:34 PM by MEH -
Added lines 1-7:
[[http://tcserv.chemie.uni-mainz.de/download/energy/psa/ZMAT.ccsd | input]] and
[[http://tcserv.chemie.uni-mainz.de/download/energy/psa/out.ccsd | output]] for PSA-CCSD calculation

[[http://tcserv.chemie.uni-mainz.de/download/energy/sr/ZMAT.ccsd | input]] and
[[http://tcserv.chemie.uni-mainz.de/download/energy/sr/out.ccsd | output]] for SR-CCSD calculation

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Page last modified on November 29, 2010, at 03:21 PM
This page has been visited 17 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.