A study of the electronic structure of molecules by a self-consistent discrete variation X?-method in a basis of numerical hartree-fock functions

G. L. Gutsev; A. A. Levin

doi:10.1007/bf00753754

A study of the electronic structure of molecules by a self-consistent discrete variation X?-method in a basis of numerical hartree-fock functions

Journal of Structural Chemistry ◽

10.1007/bf00753754 ◽

1979 ◽

Vol 19 (6) ◽

pp. 838-842 ◽

Cited By ~ 1

Author(s):

G. L. Gutsev ◽

A. A. Levin

Keyword(s):

Electronic Structure ◽

Discrete Variation ◽

Hartree Fock ◽

Structure Of Molecules ◽

Self Consistent

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Study of the electronic structure of molecules by the self-consistent discrete variation X? method in a basis of numerical hartree-fock functions IV. Calcuation of the ionization potentials and energies of the optical transitions for the permanganate ion

Journal of Structural Chemistry ◽

10.1007/bf00746760 ◽

1980 ◽

Vol 20 (5) ◽

pp. 663-665 ◽

Cited By ~ 2

Author(s):

G. L. Gutsev ◽

A. A. Levin

Keyword(s):

Electronic Structure ◽

The Self ◽

Ionization Potentials ◽

Optical Transitions ◽

Discrete Variation ◽

Hartree Fock ◽

Structure Of Molecules ◽

Self Consistent ◽

Permanganate Ion

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Study of the electronic structure of molecules by the self-consistent discrete variation X? method in a basis of numerical hartree-fock functions. III. Calculation of the ionization potentials of small molecules

Journal of Structural Chemistry ◽

10.1007/bf00746759 ◽

1980 ◽

Vol 20 (5) ◽

pp. 655-662

Author(s):

G. L. Gutsev ◽

A. A. Levin

Keyword(s):

Electronic Structure ◽

Small Molecules ◽

The Self ◽

Ionization Potentials ◽

Discrete Variation ◽

Hartree Fock ◽

Structure Of Molecules ◽

Self Consistent

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A study of the electronic structure of molecules by the self-consistent discrete variation X?-method in a basis of numerical hartree-fock functions

Journal of Structural Chemistry ◽

10.1007/bf00753755 ◽

1979 ◽

Vol 19 (6) ◽

pp. 843-851

Author(s):

G. L. Gutsev ◽

A. A. Levin

Keyword(s):

Electronic Structure ◽

The Self ◽

Discrete Variation ◽

Hartree Fock ◽

Structure Of Molecules ◽

Self Consistent

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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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Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree‐Fock density and its application to the hydrides of the second row atoms

The Journal of Chemical Physics ◽

10.1063/1.1681192 ◽

1974 ◽

Vol 60 (4) ◽

pp. 1275-1287 ◽

Cited By ~ 378

Author(s):

George C. Lie ◽

Enrico Clementi

Keyword(s):

Electronic Structure ◽

Correlation Energy ◽

Hartree Fock ◽

Structure Of Molecules

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Self-consistent embedded-cluster calculations of the electronic structure of alkaline earth fluorides in the hartree-fock-slater approximation

physica status solidi (b) ◽

10.1002/pssb.2221170114 ◽

1983 ◽

Vol 117 (1) ◽

pp. 141-153 ◽

Cited By ~ 21

Author(s):

N. C. Amaral ◽

B. Maffeo ◽

Diana Guenzburger

Keyword(s):

Electronic Structure ◽

Alkaline Earth ◽

Hartree Fock ◽

Cluster Calculations ◽

Self Consistent ◽

Slater Approximation

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Study of the Electronic Structure of Molecules. XVII. Analysis of the Formation of the Acetylene, Ethylene, and Ethane Molecules in the Hartree‐Fock Model

The Journal of Chemical Physics ◽

10.1063/1.1678158 ◽

1972 ◽

Vol 57 (11) ◽

pp. 4870-4883 ◽

Cited By ~ 77

Author(s):

Enrico Clementi ◽

Herbert Popkie

Keyword(s):

Electronic Structure ◽

Hartree Fock ◽

Structure Of Molecules

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The electronic structure and the solid state properties of the one-dimensional tetraza porphin nickel (II ) system. A self-consistent-field Hartree-Fock crystal-orbital approach based on a semiempirical Hamiltonian

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/17/12/008 ◽

1984 ◽

Vol 17 (12) ◽

pp. 2091-2105 ◽

Cited By ~ 8

Author(s):

M C Bohm

Keyword(s):

Electronic Structure ◽

Solid State ◽

One Dimensional ◽

Hartree Fock ◽

System A ◽

Consistent Field ◽

Crystal Orbital ◽

Self Consistent ◽

Self Consistent Field ◽

The One

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The Electronic Structure and the Nature of Chemical Bond of Crystalline Li12Si7. A Semiempirical Crystal Orbital (CO) Approach Based on the Self-Consistent-Field (SCF) Approximation in the Hartree-Fock (HF) Scheme Applied to One-Dimensional (1D) Subunits

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19850890506 ◽

1985 ◽

Vol 89 (5) ◽

pp. 465-481 ◽

Cited By ~ 25

Author(s):

Michael C. Böhm ◽

Rafael Ramírez ◽

Reinhard Nesper ◽

Hans-Georg Von Schnering

Keyword(s):

Electronic Structure ◽

Chemical Bond ◽

The Self ◽

One Dimensional ◽

Hartree Fock ◽

Consistent Field ◽

Crystal Orbital ◽

Self Consistent ◽

Self Consistent Field ◽

Nature Of Chemical Bond

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Calculation of the electronic structure of molecules with D3h symmetry using the self-consistent field LCAO MO method

Journal of Structural Chemistry ◽

10.1007/bf00745794 ◽

1969 ◽

Vol 10 (2) ◽

pp. 278-288 ◽

Cited By ~ 2

Author(s):

A. A. Medvinskii ◽

N. N. Bulgakov

Keyword(s):

Electronic Structure ◽

The Self ◽

Structure Of Molecules ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Lcao Mo

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