Self consistent field perturbation theory for Frenkel and charge transfer states of hydrogen bonded crystals

Keith M. Middlemiss; David P. Santry

doi:10.1007/bf00546905

Self consistent field perturbation theory for Frenkel and charge transfer states of hydrogen bonded crystals

Theoretica Chimica Acta ◽

10.1007/bf00546905 ◽

1974 ◽

Vol 35 (3) ◽

pp. 203-216

Author(s):

Keith M. Middlemiss ◽

David P. Santry

Keyword(s):

Perturbation Theory ◽

Charge Transfer ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Hydrogen Bonded

Self-consistent field perturbation theory of molecular vibrations

Molecular Physics ◽

10.1080/002689798169168 ◽

1998 ◽

Vol 93 (3) ◽

pp. 477-484 ◽

Cited By ~ 1

Author(s):

ALEXEI V. SERGEEV ◽

DAVID Z. GOODSON

Keyword(s):

Perturbation Theory ◽

Molecular Vibrations ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

Carbon-13 chemical shifts of the carbonyl group. 8. Approximate self-consistent-field perturbation theory

Journal of the American Chemical Society ◽

10.1021/ja00433a004 ◽

1976 ◽

Vol 98 (17) ◽

pp. 5074-5082 ◽

Cited By ~ 20

Author(s):

Gary E. Maciel ◽

Jerry L. Dallas ◽

Don P. Miller

Keyword(s):

Perturbation Theory ◽

Carbonyl Group ◽

Chemical Shifts ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

An investigation of self-consistent field perturbation theory applied to the calculation of nuclear spin-spin coupling constants

Molecular Physics ◽

10.1080/00268977800100321 ◽

1978 ◽

Vol 35 (2) ◽

pp. 427-443 ◽

Cited By ~ 74

Author(s):

M.F. Guest ◽

V.R. Saunders ◽

R.E. Overill

Keyword(s):

Perturbation Theory ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Molecular‐Orbital Theory for Infinite Systems: Self‐Consistent Field Perturbation Treatment of Hydrogen‐Bonded Molecules

The Journal of Chemical Physics ◽

10.1063/1.1676657 ◽

1971 ◽

Vol 55 (8) ◽

pp. 3743-3751 ◽

Cited By ~ 27

Author(s):

J. Bacon ◽

F. P. Santry

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Field Perturbation ◽

Infinite Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Hydrogen Bonded

Intermolecular self-consistent-field perturbation theory for organic reactions. I. Theory and implementation; nucleophilic attack on carbonyl compounds

Journal of the American Chemical Society ◽

10.1021/ja00544a003 ◽

1980 ◽

Vol 102 (24) ◽

pp. 7185-7192 ◽

Cited By ~ 35

Author(s):

A. J. Stone ◽

R. W. Erskine

Keyword(s):

Perturbation Theory ◽

Carbonyl Compounds ◽

Organic Reactions ◽

Nucleophilic Attack ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

ChemInform Abstract: CARBON-13 CHEMICAL SHIFTS OF THE CARBONYL GROUP. 8. APPROXIMATE SELF-CONSISTENT-FIELD PERTURBATION THEORY

Chemischer Informationsdienst ◽

10.1002/chin.197646042 ◽

1976 ◽

Vol 7 (46) ◽

pp. no-no

Author(s):

G. E. MACIEL ◽

J. L. DALLAS ◽

D. P. MILLER

Keyword(s):

Perturbation Theory ◽

Carbonyl Group ◽

Chemical Shifts ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

ChemInform Abstract: INTERMOLECULAR SELF-CONSISTENT-FIELD PERTURBATION THEORY FOR ORGANIC REACTIONS. I. THEORY AND IMPLEMENTATION; NUCLEOPHILIC ATTACK ON CARBONYL COMPOUNDS

Chemischer Informationsdienst ◽

10.1002/chin.198110123 ◽

1981 ◽

Vol 12 (10) ◽

Author(s):

A. J. STONE ◽

R. W. ERSKINE

Keyword(s):

Perturbation Theory ◽

Carbonyl Compounds ◽

Organic Reactions ◽

Nucleophilic Attack ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

Semiclassical self-consistent field perturbation theory for the hydrogen atom in a magnetic field

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)69:2<183::aid-qua6>3.0.co;2-r ◽

1998 ◽

Vol 69 (2) ◽

pp. 183-192 ◽

Cited By ~ 1

Author(s):

Alexei V. Sergeev ◽

David Z. Goodson

Keyword(s):

Magnetic Field ◽

Perturbation Theory ◽

Hydrogen Atom ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

Self-consistent-field perturbation theory for the Schrödinger equation

Physical Review A ◽

10.1103/physreva.55.4155 ◽

1997 ◽

Vol 55 (6) ◽

pp. 4155-4163 ◽

Cited By ~ 6

Author(s):

David Z. Goodson

Keyword(s):

Perturbation Theory ◽

Schrödinger Equation ◽

Schrodinger Equation ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

Approximate Force Constants from Uncoupled Self-Consistent Field Perturbation Theory Using Nonhybrid Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b10959 ◽

2016 ◽

Vol 121 (1) ◽

pp. 348-356 ◽

Cited By ~ 1

Author(s):

Zhigang Ni ◽

Krzysztof Wolinski ◽

Peter Pulay

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Density Functional ◽

Force Constants ◽

Functional Theory ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field