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Density Functional Theory: An Advanced Course

1. Aufl., 2011

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Exact exchange plane-wave-pseudopotential calculations for slabs

The Journal of chemical physics, 2014-05, Vol.140 (18), p.18A505-18A505

Engel, Eberhard

2014

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Asymptotic Behavior of Exact Exchange for Slabs: Beyond the Leading Order

Computation, 2018-06, Vol.6 (2), p.35

Engel, Eberhard

2018

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Second-order Kohn-Sham perturbation theory:Correlation potential for atoms in a cavity

The Journal of chemical physics, 2005-12, Vol.123 (22), p.224102-224102-15

2005

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Kohn-Sham perturbation theory: simple solution to variational instability of second order correlation energy functional

The Journal of chemical physics, 2006-11, Vol.125 (18), p.184108-184108

2006

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Relevance of semi-core-valence interaction for exact exchange calculations for group IVA, IIIA-VA, and IIB-VIA semiconductors

International journal of quantum chemistry, 2016-06, Vol.116 (11), p.867-879

Engel, Eberhard

2016

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Random-phase-approximation-based correlation energy functionals: Benchmark results for atoms

The Journal of chemical physics, 2007-11, Vol.127 (18), p.184108-184108-10

2007

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Exact exchange potential for slabs: Asymptotic behavior of the Krieger-Li-Iafrate approximation

Physical review. B, 2018-02, Vol.97 (7), Article 075102

Engel, Eberhard

2018

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Exact exchange plane-wave-pseudopotential calculations for slabs: Extending the width of the vacuum

Physical review. B, 2018-04, Vol.97 (15), Article 155112

Engel, Eberhard

2018

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Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets

The Journal of chemical physics, 2020-04, Vol.152 (14), p.144105-144105

2020

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Reiner M. Dreizler

Physics today, 2024-08, Vol.2024 (8)

2024

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Time-dependent spin-density-functional-theory description of He + -He collisions

Physical review. A, 2017-09, Vol.96 (3), Article 032708

2017

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Kohn-Sham perturbation theory: Simple solution to variational instabilityof second order correlation energy functional

The Journal of chemical physics, 2006-11, Vol.125 (18), p.184108-184108-11

2006

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Total energy density as an interpretative tool

The Journal of chemical physics, 2000-08, Vol.113 (8), p.2990-2994

2000

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Examining the role of pseudopotentials in exact-exchange-based Kohn-Sham gaps

Physical review. B, Condensed matter and materials physics, 2009-10, Vol.80 (16), p.161204, Article 161204

2009

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Time-dependent density functional calculation of e-H scattering

Physical review letters, 2007-07, Vol.99 (4), p.043005-043005, Article 043005

2007

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Exact-exchange Kohn-Sham formalism applied to one-dimensional periodic electronic systems

Physical review. B, Condensed matter and materials physics, 2006-07, Vol.74 (4), Article 045119

2006

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Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals

A Primer in Density Functional Theory, 2003, p.56-122

2003

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The Pursuit of Quantum Gravity: Memoirs of Bryce DeWitt from 1946 to 2004

DeWitt-Morette, Cécile

1. Aufl., 2011

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Relativistic Density Functional Theory

Handbook of Relativistic Quantum Chemistry, p.547-578

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Erratum to: Density Functional Theory

Density Functional Theory, p.E3-E4

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Erratum to: Density Functional Theory

Density Functional Theory, p.E5-E7

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Quantum theory of fast electron impact ionization of C60: application of the spherical jellium model

Chemical physics letters, 1999-01, Vol.299 (2), p.165-170

1999

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Quantum theory of fast electron impact ionization of C 60: application of the spherical jellium model

Chemical physics letters, 1999-01, Vol.299 (2), p.165-170

1999

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Liquid-drop model for crystalline metals : vacancy-formation, cohesive, and face-dependent surface energies

Physical review letters, 1991-01, Vol.66 (4), p.508-511

1991

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Density Functional Theory: An Advanced Course

Exact exchange plane-wave-pseudopotential calculations for slabs

Asymptotic Behavior of Exact Exchange for Slabs: Beyond the Leading Order

Second-order Kohn-Sham perturbation theory:Correlation potential for atoms in a cavity

Kohn-Sham perturbation theory: simple solution to variational instability of second order correlation energy functional

Relevance of semi-core-valence interaction for exact exchange calculations for group IVA, IIIA-VA, and IIB-VIA semiconductors

Random-phase-approximation-based correlation energy functionals: Benchmark results for atoms

Exact exchange potential for slabs: Asymptotic behavior of the Krieger-Li-Iafrate approximation

Exact exchange plane-wave-pseudopotential calculations for slabs: Extending the width of the vacuum

Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets

Reiner M. Dreizler

Time-dependent spin-density-functional-theory description of He + -He collisions

Kohn-Sham perturbation theory: Simple solution to variational instabilityof second order correlation energy functional

Total energy density as an interpretative tool

Examining the role of pseudopotentials in exact-exchange-based Kohn-Sham gaps

Time-dependent density functional calculation of e-H scattering

Exact-exchange Kohn-Sham formalism applied to one-dimensional periodic electronic systems

Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals

The Pursuit of Quantum Gravity: Memoirs of Bryce DeWitt from 1946 to 2004

Relativistic Density Functional Theory

Erratum to: Density Functional Theory

Erratum to: Density Functional Theory

Quantum theory of fast electron impact ionization of C60: application of the spherical jellium model

Quantum theory of fast electron impact ionization of C 60: application of the spherical jellium model

Liquid-drop model for crystalline metals : vacancy-formation, cohesive, and face-dependent surface energies

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