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

G. L. Gutsev; A. A. Levin

doi:10.1007/bf00746759

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

Simplifying the self-consistent procedure in crystal electronic-structure calculations

Journal of Structural Chemistry ◽

10.1007/bf00752079 ◽

1988 ◽

Vol 28 (5) ◽

pp. 810-810

Author(s):

R. A. �varestov ◽

V. A. Veryazov ◽

A. V. Leko

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

The Self ◽

Self Consistent ◽

Structure Calculations

Download Full-text

Fast method for calculating the self-consistent electronic structure of random alloys

Physical Review B ◽

10.1103/physrevb.30.5508 ◽

1984 ◽

Vol 30 (10) ◽

pp. 5508-5515 ◽

Cited By ~ 41

Author(s):

D. D. Johnson ◽

F. J. Pinski ◽

G. M. Stocks

Keyword(s):

Electronic Structure ◽

The Self ◽

Fast Method ◽

Self Consistent ◽

Random Alloys

Download Full-text

Electronic structure and total energy of Si, Ge and α-Sn by the self-consistent local pseudopotential method

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/15/4/017 ◽

1982 ◽

Vol 15 (4) ◽

pp. 707-719 ◽

Cited By ~ 20

Author(s):

G P Srivastava

Keyword(s):

Electronic Structure ◽

Total Energy ◽

The Self ◽

Pseudopotential Method ◽

Self Consistent

Download Full-text

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

Download Full-text