On factorization of molecular wavefunctions

Journal of Physics A Mathematical and Theoretical ◽

10.1088/1751-8113/48/44/445201 ◽

2015 ◽

Vol 48 (44) ◽

pp. 445201 ◽

Author(s):

Thierry Jecko ◽

Brian T Sutcliffe ◽

R Guy Woolley

Keyword(s):

Molecular Wavefunctions

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The spherical shell technique for molecular wavefunctions, some new theorems in group theory

Journal of Chemical Education ◽

10.1021/ed061p572 ◽

1984 ◽

Vol 61 (7) ◽

pp. 572 ◽

Author(s):

C. M. Quinn

Keyword(s):

Group Theory ◽

Spherical Shell ◽

Molecular Wavefunctions

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Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54

The Journal of Chemical Physics ◽

10.1063/1.1680973 ◽

1974 ◽

Vol 60 (12) ◽

pp. 4725-4729 ◽

Author(s):

Carla Roetti ◽

Enrico Clementi

Keyword(s):

Simple Basis ◽

Molecular Wavefunctions

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On the choice of translation factors for approximate molecular wavefunctions

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/15/1/018 ◽

1982 ◽

Vol 15 (1) ◽

pp. 101-110 ◽

Author(s):

L F Errea ◽

L Mendez ◽

A Riera

Keyword(s):

Translation Factors ◽

Molecular Wavefunctions

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Cusp Conditions for Molecular Wavefunctions

The Journal of Chemical Physics ◽

10.1063/1.1727605 ◽

1966 ◽

Vol 45 (2) ◽

pp. 556-559 ◽

Author(s):

Russell T Pack ◽

W. Byers Brown

Keyword(s):

Cusp Conditions ◽

Molecular Wavefunctions

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Constrained Molecular Wavefunctions: HF Molecule

The Journal of Chemical Physics ◽

10.1063/1.1733493 ◽

1963 ◽

Vol 38 (1) ◽

pp. 44-48 ◽

Author(s):

A. Mukherji ◽

M. Karplus

Keyword(s):

Molecular Wavefunctions

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Simple Basis Set for Molecular Wavefunctions Containing First‐and Second‐Row Atoms

The Journal of Chemical Physics ◽

10.1063/1.1673805 ◽

1970 ◽

Vol 53 (1) ◽

pp. 451-452 ◽

Author(s):

Sigeru Huzinaga ◽

Catalina Arnau

Keyword(s):

Basis Set ◽

Simple Basis ◽

Molecular Wavefunctions

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Multiple Solutions to the Hartree–Fock Problem. II. Molecular Wavefunctions in the Limit of Infinite Internuclear Separation

The Journal of Chemical Physics ◽

10.1063/1.1671628 ◽

1969 ◽

Vol 50 (9) ◽

pp. 3789-3797 ◽

Author(s):

Harry F. King ◽

Richard E. Stanton

Keyword(s):

Multiple Solutions ◽

Internuclear Separation ◽

Hartree Fock ◽

Molecular Wavefunctions

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Study of the Electronic Structure of Molecules. I. Molecular Wavefunctions and Their Analysis

The Journal of Chemical Physics ◽

10.1063/1.1840457 ◽

1967 ◽

Vol 46 (10) ◽

pp. 3842-3850 ◽

Author(s):

Enrico Clementi

Keyword(s):

Electronic Structure ◽

Structure Of Molecules ◽

Molecular Wavefunctions

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A study of the two-electron Fourier amplitudes of atomic and molecular wavefunctions using the (γ,2e) and (e,3e) processes at high energies

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/11/20/019 ◽

1978 ◽

Vol 11 (20) ◽

pp. 3587-3601 ◽

Author(s):

Yu F Smirnov ◽

A V Pavlitchenkov ◽

V G Levin ◽

V G Neudatchin

Keyword(s):

High Energies ◽

Molecular Wavefunctions

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The effect of electronic correlation on molecular wavefunctions

Chemical Physics ◽

10.1016/0301-0104(86)85027-3 ◽

1986 ◽

Vol 104 (3) ◽

pp. 383-398 ◽

Author(s):

Padeleimon Karafiloglou ◽

Jean-Paul Malrieu

Keyword(s):

Electronic Correlation ◽

Molecular Wavefunctions

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