Localization and Delocalization in Quantum Chemistry
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Published By Springer Netherlands

9789401017800, 9789401017787

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The Direct S.C.F. Computation of the Localised Molecular Orbitals of the Formaldehyde Molecule

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_8 ◽

1975 ◽

pp. 99-105 ◽

Cited By ~ 1

Author(s):

J. M. Carpenter ◽

David Peters

Keyword(s):

Molecular Orbitals ◽

Formaldehyde Molecule

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Discussion of Constanciel Contribution: The Relationship between Functional Localization and the Operator ‘Number of Particles in a One-Particle Functional Subspace’

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_6 ◽

1975 ◽

pp. 53-58

Author(s):

Pierre Claverie ◽

Jean-Paul Malrieu ◽

Simon Diner

Keyword(s):

Functional Localization ◽

The Relationship ◽

Number Of Particles

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Comparison of Loge and Virial Methods of Partitioning Molecular Charge Distributions

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_3 ◽

1975 ◽

pp. 15-38 ◽

Cited By ~ 16

Author(s):

R. F. W. Bader

Keyword(s):

Charge Distributions ◽

Molecular Charge

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Localization and Symmetry Breaking of Molecular Hartree-Fock Orbitals

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_13 ◽

1975 ◽

pp. 131-141 ◽

Cited By ~ 2

Author(s):

R. F. Prat

Keyword(s):

Symmetry Breaking ◽

Hartree Fock

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Summary of the Discussion of Professor Bader’s Paper

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_4 ◽

1975 ◽

pp. 39-39

Author(s):

R. Daudel ◽

J. P. Malrieu

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The Degree of Delocalization and its Relation with the Ground State Energy. The Problem of Aromaticity

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_24 ◽

1975 ◽

pp. 335-343 ◽

Cited By ~ 2

Author(s):

J. P. Malrieu

Keyword(s):

Ground State Energy ◽

Ground State ◽

State Energy

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The Localized Interpretation of the Observables of the Ground State

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_18 ◽

1975 ◽

pp. 249-249 ◽

Cited By ~ 1

Author(s):

J. P. Malrieu

Keyword(s):

Ground State

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The Transferable Properties of Localized Orbitals

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_16 ◽

1975 ◽

pp. 207-221 ◽

Cited By ~ 6

Author(s):

G. Leroy ◽

D. Peeters

Keyword(s):

Localized Orbitals

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Comments about the Communication of Professor Peters

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_10 ◽

1975 ◽

pp. 109-109

Author(s):

J. P. Daudey

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Introduction to the Loge Theory

Localization and Delocalization in Quantum Chemistry ◽

10.1007/978-94-010-1778-7_1 ◽

1975 ◽

pp. 3-8 ◽

Cited By ~ 4

Author(s):

R. Daudel

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Localization and Delocalization in Quantum ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

The Direct S.C.F. Computation of the Localised Molecular Orbitals of the Formaldehyde Molecule

Discussion of Constanciel Contribution: The Relationship between Functional Localization and the Operator ‘Number of Particles in a One-Particle Functional Subspace’

Comparison of Loge and Virial Methods of Partitioning Molecular Charge Distributions

Localization and Symmetry Breaking of Molecular Hartree-Fock Orbitals

Summary of the Discussion of Professor Bader’s Paper

The Degree of Delocalization and its Relation with the Ground State Energy. The Problem of Aromaticity

The Localized Interpretation of the Observables of the Ground State

The Transferable Properties of Localized Orbitals

Comments about the Communication of Professor Peters

Introduction to the Loge Theory

Localization and Delocalization in Quantum Chemistry
Latest Publications