Comparative study on the band structures of tetrazaporphin nickel(II) and porphyrinato nickel(II). A crystal-orbital approach based on a semiempirical Hartree-Fock self-consistent-field model

Michael C. Böhm

doi:10.1103/physrevb.28.6914

Comparative study on the band structures of tetrazaporphin nickel(II) and porphyrinato nickel(II). A crystal-orbital approach based on a semiempirical Hartree-Fock self-consistent-field model

Physical Review B ◽

10.1103/physrevb.28.6914 ◽

1983 ◽

Vol 28 (12) ◽

pp. 6914-6926 ◽

Cited By ~ 22

Author(s):

Michael C. Böhm

Keyword(s):

Comparative Study ◽

Field Model ◽

Band Structures ◽

Hartree Fock ◽

Consistent Field ◽

Crystal Orbital ◽

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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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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A semi-empirical self-consistent-field hartree—fock crystal-orbital investigation on highly puckered porphyrinatonickel(II) backbones

Chemical Physics Letters ◽

10.1016/0009-2614(84)85137-4 ◽

1984 ◽

Vol 107 (3) ◽

pp. 322-329 ◽

Cited By ~ 5

Author(s):

Michael C. Böhm

Keyword(s):

Hartree Fock ◽

Consistent Field ◽

Crystal Orbital ◽

Self Consistent ◽

Self Consistent Field ◽

Semi Empirical

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A semiempirical self-consistent field Hartree-Fock crystal orbital approach to the infinite tetraza porphin nickel(II) system

Physics Letters A ◽

10.1016/0375-9601(83)90133-0 ◽

1983 ◽

Vol 94 (8) ◽

pp. 371-374 ◽

Cited By ~ 14

Author(s):

Michael C. Böhm

Keyword(s):

Hartree Fock ◽

Consistent Field ◽

Crystal Orbital ◽

Self Consistent ◽

Self Consistent Field

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Thermodynamic Perturbation Theory for Classical Systems Based on Self-Consistent Field Model

Ukrainian Journal of Physics ◽

10.15407/ujpe60.06.0553 ◽

2015 ◽

Vol 60 (6) ◽

pp. 553-560

Author(s):

Yu.M. Poluektov ◽

Keyword(s):

Perturbation Theory ◽

Field Model ◽

Thermodynamic Perturbation Theory ◽

Classical Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Thermodynamic Perturbation

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Investigation of electron distribution and hyperfine properties of hemin by first-principles Hartree-Fock self-consistent field procedure

Theoretica Chimica Acta ◽

10.1007/bf01113259 ◽

1992 ◽

Vol 82 (3-4) ◽

pp. 285-298 ◽

Cited By ~ 3

Author(s):

N. Sahoo ◽

K. Ramani Lata ◽

T. P. Das

Keyword(s):

First Principles ◽

Electron Distribution ◽

Hartree Fock ◽

Consistent Field ◽

Hyperfine Properties ◽

Self Consistent ◽

Self Consistent Field

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A Hybrid Monte Carlo Self-Consistent Field Model of Physical Gels of Telechelic Polymers

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b01264 ◽

2018 ◽

Vol 14 (12) ◽

pp. 6532-6543 ◽

Cited By ~ 2

Author(s):

J. Bergsma ◽

F. A. M. Leermakers ◽

J. M. Kleijn ◽

J. van der Gucht

Keyword(s):

Monte Carlo ◽

Field Model ◽

Telechelic Polymers ◽

Hybrid Monte Carlo ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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HARTREE--FOCK SELF-CONSISTENT FIELD CALCULATIONS FOR IRIDIUM.

10.2172/4185049 ◽

1969 ◽

Author(s):

L. Panek ◽

G. Perlow

Keyword(s):

Hartree Fock ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Hartree–Fock self-consistent field theory: deformed nuclei

Nuclear Collective Motion ◽

10.1142/9789812790668_0010 ◽

2010 ◽

pp. 158-176

Keyword(s):

Field Theory ◽

Deformed Nuclei ◽

Hartree Fock ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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