Self-consistent-field calculation of the geometry of protonated cyclopropane

J. D. Petke; J. L. Whitten

doi:10.1021/ja01015a007

Self-consistent-field calculation of the geometry of protonated cyclopropane

Journal of the American Chemical Society ◽

10.1021/ja01015a007 ◽

1968 ◽

Vol 90 (13) ◽

pp. 3338-3343 ◽

Cited By ~ 17

Author(s):

J. D. Petke ◽

J. L. Whitten

Keyword(s):

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self-Consistent Field Calculation of the Nuclear Boundary Diffuseness

Physical Review ◽

10.1103/physrev.102.455 ◽

1956 ◽

Vol 102 (2) ◽

pp. 455-457 ◽

Cited By ~ 4

Author(s):

James D. Talman

Keyword(s):

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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A numerical Hartree self-consistent field calculation of an autoionization resonance parameters for a doubly excited 2s 2 , 3s 2 , and 4s 2 states of He atom with a complex absorbing potential

Chinese Physics B ◽

10.1088/1674-1056/26/8/083101 ◽

2017 ◽

Vol 26 (8) ◽

pp. 083101

Author(s):

Tsogbayar Tsednee ◽

Danny L Yeager

Keyword(s):

Field Calculation ◽

Resonance Parameters ◽

Consistent Field ◽

Doubly Excited ◽

Self Consistent ◽

Self Consistent Field ◽

He Atom

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Numerical relativistic self-consistent field calculation of electron density and 〈r−3〉 for a number of electron configurations of iron and tin. Application to tin Mössbauer spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.431324 ◽

1975 ◽

Vol 63 (12) ◽

pp. 5256-5262 ◽

Cited By ~ 26

Author(s):

J. L. K. F. de Vries ◽

J. M. Trooster ◽

P. Ros

Keyword(s):

Mössbauer Spectroscopy ◽

Electron Density ◽

Mossbauer Spectroscopy ◽

Field Calculation ◽

Mößbauer Spectroscopy ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Multi-configuration self-consistent-field calculation of the dissociation energy and electronic structure of hydrogen fluoride

Molecular Physics ◽

10.1080/00268977400100841 ◽

1974 ◽

Vol 27 (4) ◽

pp. 917-921 ◽

Cited By ~ 11

Author(s):

M. Krauss ◽

D. Neumann

Keyword(s):

Electronic Structure ◽

Hydrogen Fluoride ◽

Dissociation Energy ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Ethylene Molecule in a Gaussian Basis. I. A Self‐Consistent‐Field Calculation

The Journal of Chemical Physics ◽

10.1063/1.1696184 ◽

1965 ◽

Vol 42 (5) ◽

pp. 1726-1731 ◽

Cited By ~ 68

Author(s):

J. W. Moskowitz ◽

M. C. Harrison

Keyword(s):

Field Calculation ◽

Ethylene Molecule ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self-consistent field calculation of the proton affinity of the NH 2 ? ion

Theoretical and Experimental Chemistry ◽

10.1007/bf00523766 ◽

1967 ◽

Vol 2 (2) ◽

pp. 111-114

Author(s):

M. N. Adamov ◽

B. S. Aleksandrov ◽

I. F. Tupitsyn

Keyword(s):

Proton Affinity ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Erratum: LCAO Self‐Consistent Field Calculation of the Ground State of CO2

The Journal of Chemical Physics ◽

10.1063/1.1699021 ◽

1953 ◽

Vol 21 (4) ◽

pp. 761-761

Author(s):

Joseph F. Mulligan

Keyword(s):

Ground State ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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LCAO Self‐Consistent Field Calculation of the Ground State of Carbon Dioxide

The Journal of Chemical Physics ◽

10.1063/1.1748208 ◽

1951 ◽

Vol 19 (3) ◽

pp. 347-362 ◽

Cited By ~ 104

Author(s):

Joseph F. Mulligan

Keyword(s):

Carbon Dioxide ◽

Ground State ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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An efficient algorithm for complete active space valence bond self-consistent field calculation

Journal of Computational Chemistry ◽

10.1002/jcc.23103 ◽

2012 ◽

Vol 34 (1) ◽

pp. 38-48 ◽

Cited By ~ 10

Author(s):

Jinshuai Song ◽

Zhenhua Chen ◽

Sason Shaik ◽

Wei Wu

Keyword(s):

Efficient Algorithm ◽

Valence Bond ◽

Field Calculation ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Retarded electromagnetic response of a spherical quantum dot: A self-consistent field calculation

Physical Review B ◽

10.1103/physrevb.52.4670 ◽

1995 ◽

Vol 52 (7) ◽

pp. 4670-4673 ◽

Cited By ~ 16

Author(s):

O. Keller ◽

T. Garm

Keyword(s):

Quantum Dot ◽

Electromagnetic Response ◽

Field Calculation ◽

Spherical Quantum Dot ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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