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 ◽

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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Self‐consistent field calculation of the electronic structure of the uranyl ion (UO2++)

The Journal of Chemical Physics ◽

10.1063/1.431384 ◽

1975 ◽

Vol 63 (2) ◽

pp. 638-642 ◽

Author(s):

Michael Boring ◽

J. H. Wood ◽

J. W. Moskowitz

Keyword(s):

Electronic Structure ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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The electronic structure of nitrogen dioxide. I. Multiconfiguration self‐consistent‐field calculation of the low‐lying electronic states

The Journal of Chemical Physics ◽

10.1063/1.431780 ◽

1975 ◽

Vol 63 (8) ◽

pp. 3425-3444 ◽

Author(s):

Gregory D. Gillispie ◽

Ahsan U. Khan ◽

A. C. Wahl ◽

R. P. Hosteny ◽

M. Krauss

Keyword(s):

Electronic Structure ◽

Nitrogen Dioxide ◽

Electronic States ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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ChemInform Abstract: SELF-CONSISTENT FIELD CALCULATION OF THE ELECTRONIC STRUCTURE OF THE URANYL ION (UO2(+))

Chemischer Informationsdienst ◽

10.1002/chin.197539002 ◽

1975 ◽

Vol 6 (39) ◽

pp. no-no

Author(s):

MICHAEL BORING ◽

J. H. WOOD ◽

J. W. MOSKOWITZ

Keyword(s):

Electronic Structure ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Adaptive Regularized Self-Consistent Field Iteration with Exact Hessian for Electronic Structure Calculation

SIAM Journal on Scientific Computing ◽

10.1137/120894385 ◽

2013 ◽

Vol 35 (3) ◽

pp. A1299-A1324 ◽

Author(s):

Zaiwen Wen ◽

Andre Milzarek ◽

Michael Ulbrich ◽

Hongchao Zhang

Keyword(s):

Electronic Structure ◽

Structure Calculation ◽

Electronic Structure 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 ◽

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 ◽

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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 ◽

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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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 ◽

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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ChemInform Abstract: THE ELECTRONIC STRUCTURE AND THE NATURE OF CHEMICAL BOND OF CRYSTALLINE LITHIUM SILICIDE (LI12SI7). A SEMIEMPIRICAL CRYSTAL ORBITAL (CO) APPROACH BASED ON THE SELF-CONSISTENT-FIELD (SCF) APPROXIMATION IN THE HARTREE-FOCK (HF) SCHEME A

Chemischer Informationsdienst ◽

10.1002/chin.198534004 ◽

1985 ◽

Vol 16 (34) ◽

Author(s):

M. C. BOEHM ◽

R. RAMIREZ ◽

R. NESPER ◽

H. G. VON SCHNERING

Keyword(s):

Electronic Structure ◽

Chemical Bond ◽

The Self ◽

Hartree Fock ◽

Consistent Field ◽

Crystal Orbital ◽

Self Consistent ◽

Self Consistent Field ◽

Nature Of Chemical Bond

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