Novel ab initio self‐consistent‐field approach to molecular solids under pressure. II. Solid H2 under high pressure

Susanne Raynor

doi:10.1063/1.453067

Novel ab initio self‐consistent‐field approach to molecular solids under pressure. II. Solid H2 under high pressure

The Journal of Chemical Physics ◽

10.1063/1.453067 ◽

1987 ◽

Vol 87 (5) ◽

pp. 2795-2799 ◽

Cited By ~ 23

Author(s):

Susanne Raynor

Keyword(s):

High Pressure ◽

Ab Initio ◽

Molecular Solids ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Novel ab initio self‐consistent‐field approach to molecular solids under pressure. IV. MP3 and MP4 correlation corrections

The Journal of Chemical Physics ◽

10.1063/1.459111 ◽

1990 ◽

Vol 93 (3) ◽

pp. 1834-1836 ◽

Cited By ~ 1

Author(s):

S. Raynor

Keyword(s):

Ab Initio ◽

Molecular Solids ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Correlation Corrections

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Novel ab initio self‐consistent‐field approach to molecular solids under pressure. III. Second‐order Mo/ller–Plesset correlation corrections

The Journal of Chemical Physics ◽

10.1063/1.456889 ◽

1989 ◽

Vol 91 (6) ◽

pp. 3577-3581 ◽

Cited By ~ 5

Author(s):

S. Raynor

Keyword(s):

Ab Initio ◽

Second Order ◽

Molecular Solids ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Correlation Corrections

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Novel ab initio self‐consistent‐field approach to molecular solids under pressure. I. Theory

The Journal of Chemical Physics ◽

10.1063/1.453066 ◽

1987 ◽

Vol 87 (5) ◽

pp. 2790-2794 ◽

Cited By ~ 7

Author(s):

Susanne Raynor

Keyword(s):

Ab Initio ◽

Molecular Solids ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Acetylcholine, gauche or trans? Standard ab initio self-consistent field investigation

Journal of the American Chemical Society ◽

10.1021/ja00793a044 ◽

1973 ◽

Vol 95 (12) ◽

pp. 4059-4060 ◽

Cited By ~ 28

Author(s):

G. N. J. Port ◽

A. Pullman

Keyword(s):

Ab Initio ◽

Field Investigation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self-Consistent-Field Approach to Lattice Dynamics

Physical Review B ◽

10.1103/physrevb.1.2723 ◽

1970 ◽

Vol 1 (6) ◽

pp. 2723-2734 ◽

Cited By ~ 7

Author(s):

W. C. Kerr ◽

A. Sjölander

Keyword(s):

Lattice Dynamics ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Ab initio self-consistent-field studies of the structure, energetics and bonding of small gallium arsenide clusters

Zeitschrift für Physik D ◽

10.1007/bf01437431 ◽

1995 ◽

Vol 33 (2) ◽

pp. 125-131 ◽

Cited By ~ 5

Author(s):

P. Piquini ◽

A. Fazzio ◽

S. Canuto

Keyword(s):

Gallium Arsenide ◽

Ab Initio ◽

Field Studies ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Modeling amino acid side chains. 1. Determination of net atomic charges from ab initio self-consistent-field molecular electrostatic properties

The Journal of Physical Chemistry ◽

10.1021/j100204a034 ◽

1992 ◽

Vol 96 (25) ◽

pp. 10276-10284 ◽

Cited By ~ 74

Author(s):

Christophe Chipot ◽

Bernard Maigret ◽

Jean Louis Rivail ◽

Harold A. Scheraga

Keyword(s):

Amino Acid ◽

Ab Initio ◽

Atomic Charges ◽

Side Chains ◽

Electrostatic Properties ◽

Consistent Field ◽

Self Consistent ◽

Amino Acid Side Chains ◽

Self Consistent Field

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Ab initio calculation of the barrier to internal rotation in propylene using a Guassian basis self-consistent field wave function

Journal of the American Chemical Society ◽

10.1021/ja01033a001 ◽

1969 ◽

Vol 91 (5) ◽

pp. 1045-1052 ◽

Cited By ~ 26

Author(s):

Mark L. Unland ◽

John R. Van Wazer ◽

John H. Letcher

Keyword(s):

Wave Function ◽

Ab Initio ◽

Internal Rotation ◽

Ab Initio Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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On the validity of the time-dependent self-consistent-field. approach: application to the vibrational predissociation of Cl2–Ne

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00502-8 ◽

1998 ◽

Vol 290 (1-3) ◽

pp. 155-163 ◽

Cited By ~ 4

Author(s):

A Garcı́a-Vela

Keyword(s):

Time Dependent ◽

Vibrational Predissociation ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Diagonalization-free self-consistent field approach with localized molecular orbitals

Theoretical Chemistry Accounts ◽

10.1007/s00214-021-02850-w ◽

2021 ◽

Vol 140 (11) ◽

Author(s):

J. Villalobos-Castro ◽

A. M. Köster

Keyword(s):

Molecular Orbitals ◽

Localized Molecular Orbitals ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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