Advances in Quantum Chemistry - Density Functional Theory
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9780120348329

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A Quantum Monte Carlo Approach to the Adiabatic Connection Method

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60436-0 ◽

1998 ◽

pp. 189-207 ◽

Cited By ~ 10

Author(s):

Maziar Nekovee ◽

W.M.C. Foulkes ◽

A.J. Williamson ◽

G. Rajagopal ◽

R.J. Needs

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Monte Carlo Approach ◽

Connection Method

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The n-particle Picture and the Calculation of the Electronic Structure of Atoms, Molecules, and Solids

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60431-1 ◽

1998 ◽

pp. 85-104

Author(s):

A. Gonis ◽

T.C. Schulthess ◽

P.E.A. Turchi ◽

J. van Ek

Keyword(s):

Electronic Structure

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Full potential linearized-augmented-plane-wave calculations for 5d transition metals using the relativistic generalized gradient approximation

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60437-2 ◽

1998 ◽

pp. 209-223 ◽

Cited By ~ 24

Author(s):

R.N. Schmid ◽

E. Engel ◽

R.M. Dreizler ◽

P. Blaha ◽

K. Schwarz

Keyword(s):

Transition Metals ◽

Plane Wave ◽

Full Potential ◽

Generalized Gradient ◽

Augmented Plane Wave ◽

Generalized Gradient Approximation ◽

Linearized Augmented Plane Wave

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Preface

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60425-6 ◽

1998 ◽

pp. xv-xviii

Author(s):

Jorge M. Seminario

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Density Functional Calculations Of Reaction Energetics: Application To Alkyl Azide Decomposition

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60441-4 ◽

1998 ◽

pp. 293-302 ◽

Cited By ~ 3

Author(s):

Peter Politzer ◽

Pat Lane

Keyword(s):

Density Functional Calculations ◽

Density Functional

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Asymptotic Properties of the Optimized Effective Potential

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60428-1 ◽

1998 ◽

pp. 31-48 ◽

Cited By ~ 29

Author(s):

T. Kreibich ◽

S. Kurth ◽

T. Grabo ◽

E.K.U. Gross

Keyword(s):

Effective Potential ◽

Asymptotic Properties ◽

Optimized Effective Potential

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Quantum Chemical Molecular Dynamics

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60435-9 ◽

1998 ◽

pp. 167-187 ◽

Cited By ~ 4

Author(s):

Brett. I. Dunlap ◽

Robert W. Warren

Keyword(s):

Molecular Dynamics ◽

Quantum Chemical ◽

Quantum Chemical Molecular Dynamics

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Interatomic Force Constants in Periodic Solids from Density Functional Perturbation Theory

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60438-4 ◽

1998 ◽

pp. 225-239 ◽

Cited By ~ 1

Author(s):

Xavier Gonze

Keyword(s):

Perturbation Theory ◽

Density Functional ◽

Force Constants ◽

Interatomic Force ◽

Density Functional Perturbation Theory

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Pure and Mixed Pb Clusters of Interest for Liquid Ionic Alloys

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60443-8 ◽

1998 ◽

pp. 329-348 ◽

Cited By ~ 9

Author(s):

L.M. Molina ◽

M.J. López ◽

A. Rubio ◽

L.C. Balbás ◽

J.A. Alonso

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Contributors

Advances in Quantum Chemistry - Density Functional Theory ◽

10.1016/s0065-3276(08)60424-4 ◽

1998 ◽

pp. xi-xiv

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Advances in Quantum Chemistry - Density Functional TheoryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Elsevier

A Quantum Monte Carlo Approach to the Adiabatic Connection Method

The n-particle Picture and the Calculation of the Electronic Structure of Atoms, Molecules, and Solids

Full potential linearized-augmented-plane-wave calculations for 5d transition metals using the relativistic generalized gradient approximation

Preface

Density Functional Calculations Of Reaction Energetics: Application To Alkyl Azide Decomposition

Asymptotic Properties of the Optimized Effective Potential

Quantum Chemical Molecular Dynamics

Interatomic Force Constants in Periodic Solids from Density Functional Perturbation Theory

Pure and Mixed Pb Clusters of Interest for Liquid Ionic Alloys

Contributors

Advances in Quantum Chemistry - Density Functional Theory
Latest Publications