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April 15, 2015, at 05:59 PM by 134.93.203.17 -
Changed lines 51-53 from:

J. Gauss and H.-J. Werner, Phys. Chem. Chem. Phys., 2, 2083 (2000); pilot implementation

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J. Gauss and H.-J. Werner, Phys. Chem. Chem. Phys. 2, 2083 (2000); pilot implementation

Changed line 58 from:

B. Liu and A.D: McLean, J. Chem. Phys. 59, 4557 (1973)\\

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B. Liu and A.D. McLean, J. Chem. Phys. 59, 4557 (1973)\\

April 15, 2015, at 05:58 PM by 134.93.203.17 -
Changed lines 58-60 from:

@@B. Liu and A.D: McLean J. Chem. Phys. 59, 4557 (1973)

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B. Liu and A.D: McLean, J. Chem. Phys. 59, 4557 (1973)

Changed line 63 from:

S.F. Boys and F. Bernardi Mol. Phys. 19, 553 (1970)\\

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S.F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970)\\

April 15, 2015, at 05:58 PM by 134.93.203.17 -
Changed lines 56-59 from:

B. Liu and A.D: McLean J. Chem. Phys. 59, 4557 (1973); definition of term
S.F. Boys and F. Bernardi Mol. Phys. 19, 553 (1970); couterpoise correction\\

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definition
@@B. Liu and A.D: McLean J. Chem. Phys. 59, 4557 (1973)

couterpoise correction
S.F. Boys and F. Bernardi Mol. Phys. 19, 553 (1970)\\

April 15, 2015, at 05:57 PM by 134.93.203.17 -
Added lines 52-61:

Basis-Set Superposition Error

B. Liu and A.D: McLean J. Chem. Phys. 59, 4557 (1973); definition of term
S.F. Boys and F. Bernardi Mol. Phys. 19, 553 (1970); couterpoise correction

January 16, 2009, at 04:45 PM by 134.93.38.52 -
Changed line 30 from:

P. Pipek and P.G. Mezey, J. Chem. Phys. 90, 4916 (1989); used within ACES2\\

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P. Pipek and P.G. Mezey, J. Chem. Phys. 90, 4916 (1989); used within CFour\\

January 16, 2009, at 04:45 PM by 134.93.38.52 -
Changed line 23 from:

A.V. Mitin and C. van Wüllen, J. Chem. Phys. 124, 064305 (2006); implementation used within ACES2\\

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A.V. Mitin and C. van Wüllen, J. Chem. Phys. 124, 064305 (2006); implementation used within CFour\\

November 03, 2008, at 09:47 AM by MEH -
Changed lines 10-14 from:

J. Paldus and J. Cizek, J. Chem. Phys. 52, 2919 (1970)

R. Seeger and J.A. Pople, J. Chem. Phys. 66, 3045 (1977)

T.D. Crawford, J.F. Stanton, W.D. Allen, and H.F. Schaefer III, J. Chem. Phys. 107, 10626 (1997)

to:

J. Paldus and J. Cizek, J. Chem. Phys. 52, 2919 (1970)
R. Seeger and J.A. Pople, J. Chem. Phys. 66, 3045 (1977)
T.D. Crawford, J.F. Stanton, W.D. Allen, and H.F. Schaefer III, J. Chem. Phys. 107, 10626 (1997)\\

September 12, 2008, at 05:22 PM by MEH -
Deleted line 11:
Deleted line 12:
September 12, 2008, at 05:22 PM by MEH -
Added lines 1-53:

Population analysis

Mulliken population analysis

R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955)

HF stability analysis

J. Paldus and J. Cizek, J. Chem. Phys. 52, 2919 (1970)

R. Seeger and J.A. Pople, J. Chem. Phys. 66, 3045 (1977)

T.D. Crawford, J.F. Stanton, W.D. Allen, and H.F. Schaefer III, J. Chem. Phys. 107, 10626 (1997)

Effective-Core Potentials

L.R. Kahn, P. Baybutt, and D.G. Truhlar, J. Chem. Phys. 65, 3826 (1976)
A.V. Mitin and C. van Wüllen, J. Chem. Phys. 124, 064305 (2006); implementation used within ACES2

Local correlation methods

definition of localized orbitals
P. Pipek and P.G. Mezey, J. Chem. Phys. 90, 4916 (1989); used within ACES2
C. Edminston and K. Ruedenberg, Rev. Mod. Phys. 35, 457 (1963)
F. Boys, Rev. Mod. Phys. 32, 296 (1960); J.M. Foster and F. Boys Rev. Mod. Phys. 32, 300 (1960)

general concepts
S. Saebo and P. Pulay, Ann. Rev. Phys. Chem. 44, 213 (1993); review

local MP2

local MP2 gradients
A. El Azhary, G. Rauhut, P. Pulay, and H.-J. Werner, J. Chem. Phys. 108, 5185 (1998); implementation within MOLPRO

local MP2 polarizabilities and NMR chemical shifts
J. Gauss and H.-J. Werner, Phys. Chem. Chem. Phys., 2, 2083 (2000); pilot implementation\\

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