On the different representations of the hole‐correlation functions in the Hartree–Fock and the Hartree–Fock–Slater methods and their influence on bond energy calculations

Vincenzo Tschinke; Tom Ziegler

doi:10.1063/1.459335

On the different representations of the hole‐correlation functions in the Hartree–Fock and the Hartree–Fock–Slater methods and their influence on bond energy calculations

The Journal of Chemical Physics ◽

10.1063/1.459335 ◽

1990 ◽

Vol 93 (11) ◽

pp. 8051-8060 ◽

Cited By ~ 44

Author(s):

Vincenzo Tschinke ◽

Tom Ziegler

Keyword(s):

Correlation Functions ◽

Bond Energy ◽

Energy Calculations ◽

Hartree Fock

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Gradient corrections to the Hartree-Fock-Slater exchange and their influence on bond energy calculations

Theoretica Chimica Acta ◽

10.1007/bf01113378 ◽

1991 ◽

Vol 81 (1-2) ◽

pp. 65-78 ◽

Cited By ~ 24

Author(s):

Vincenzo Tschinke ◽

Tom Ziegler

Keyword(s):

Bond Energy ◽

Energy Calculations ◽

Hartree Fock ◽

Gradient Corrections

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Spectrum and correlation functions of an anisotropic heisenberg antiferromagnet. II. Paramagnetic phase in the generalized Hartree-Fock approximation

Theoretical and Mathematical Physics ◽

10.1007/bf01029878 ◽

1975 ◽

Vol 24 (3) ◽

pp. 912-917 ◽

Cited By ~ 3

Author(s):

V. I. Lymar' ◽

Yu. G. Rudoi

Keyword(s):

Correlation Functions ◽

Paramagnetic Phase ◽

Heisenberg Antiferromagnet ◽

Hartree Fock ◽

Anisotropic Heisenberg Antiferromagnet

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Molecular-bond-energy calculations based on the Harris-functional approximation coupled with the generalized-gradient approximation

Physical Review B ◽

10.1103/physrevb.45.11299 ◽

1992 ◽

Vol 45 (19) ◽

pp. 11299-11304 ◽

Cited By ~ 18

Author(s):

Kinya Kobayashi ◽

Noriyuki Kurita ◽

Hiroki Kumahora ◽

Kazutami Tago

Keyword(s):

Bond Energy ◽

Generalized Gradient ◽

Energy Calculations ◽

Functional Approximation ◽

Generalized Gradient Approximation ◽

Molecular Bond

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Dynamic and static correlation functions in the inhomogeneous-Hartree-Fock-state approach with random-phase-approximation fluctuations

Physical Review B ◽

10.1103/physrevb.47.13156 ◽

1993 ◽

Vol 47 (20) ◽

pp. 13156-13163 ◽

Cited By ~ 8

Author(s):

J. Lorenzana ◽

M. D. Grynberg ◽

L. Yu ◽

K. Yonemitsu ◽

A. R. Bishop

Keyword(s):

Correlation Functions ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Hartree Fock ◽

Fock State ◽

Static Correlation

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Assessment of Relative Stabilities of Positional Isomers of Polyhedral Heteronuclear Clusters via a Simplified Method of Bond Energy Calculations Based on Tight-Binding Approach and Adjacent Matrix Method: Applications to Binary Icosahedral Clusters.

ChemInform ◽

10.1002/chin.200305002 ◽

2003 ◽

Vol 34 (5) ◽

Author(s):

Boon K. Teo ◽

Alex Strizhev

Keyword(s):

Bond Energy ◽

Matrix Method ◽

Tight Binding ◽

Positional Isomers ◽

Relative Stabilities ◽

Energy Calculations ◽

Heteronuclear Clusters ◽

Icosahedral Clusters ◽

Simplified Method

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Bond-Energy and Surface-Energy Calculations in Metals

Journal of Chemical Education ◽

10.1021/ed100189v ◽

2010 ◽

Vol 87 (6) ◽

pp. 608-612 ◽

Cited By ~ 15

Author(s):

James G. Eberhart ◽

Steve Horner

Keyword(s):

Surface Energy ◽

Bond Energy ◽

Energy Calculations

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Assessment of Relative Stabilities of Positional Isomers of Polyhedral Heteronuclear Clusters via a Simplified Method of Bond Energy Calculations Based on Tight-Binding Approach and Adjacent Matrix Method: Applications to Binary Icosahedral Clusters

Inorganic Chemistry ◽

10.1021/ic020325b ◽

2002 ◽

Vol 41 (24) ◽

pp. 6332-6342 ◽

Cited By ~ 6

Author(s):

Boon K. Teo ◽

Alex Strizhev

Keyword(s):

Bond Energy ◽

Matrix Method ◽

Tight Binding ◽

Positional Isomers ◽

Relative Stabilities ◽

Energy Calculations ◽

Heteronuclear Clusters ◽

Icosahedral Clusters ◽

Simplified Method

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Concepts of Potential Energy, Enthalpy, and Bond Energy Calculations

Survival Guide to General Chemistry ◽

10.1201/9780429445828-18 ◽

2019 ◽

pp. 253-268

Author(s):

Patrick E. McMahon ◽

Rosemary F. McMahon ◽

Bohdan B. Khomtchouk

Keyword(s):

Potential Energy ◽

Bond Energy ◽

Energy Calculations

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- A NOTE ON BOND ENERGY CALCULATIONS IN NANOSTRUCTURED MATERIAL

Functional Materials ◽

10.1201/b18183-12 ◽

2015 ◽

pp. 76-85

Keyword(s):

Bond Energy ◽

Nanostructured Material ◽

Energy Calculations

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Nonlocal-density-functional bond-energy calculations of cage-shaped carbon fullerenes:C32andC60

Physical Review B ◽

10.1103/physrevb.45.13690 ◽

1992 ◽

Vol 45 (23) ◽

pp. 13690-13693 ◽

Cited By ~ 22

Author(s):

Kinya Kobayashi ◽

Noriyuki Kurita ◽

Hiroki Kumahora ◽

Kazutami Tago ◽

Kunio Ozawa

Keyword(s):

Bond Energy ◽

Density Functional ◽

Energy Calculations

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