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Descriptors for binding energies at clusters: The case of nanosilicates as models of interstellar dust grains
Descriptors for binding energies at clusters: The case of nanosilicates as models of interstellar dust grains
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Descriptors for binding energies at clusters: The case of nanosilicates as models of interstellar dust grains

Andersen, Mie ; Slavensky, Andreas Møller

The Journal of chemical physics, 2023-07, Vol.159 (4) [Periódico revisado por pares]

United States: American Institute of Physics

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2
Generating candidates in global optimization algorithms using complementary energy landscapes
Generating candidates in global optimization algorithms using complementary energy landscapes
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Generating candidates in global optimization algorithms using complementary energy landscapes

Slavensky, Andreas Møller ; Christiansen, Mads-Peter V. ; Hammer, Bjørk

The Journal of chemical physics, 2023-07, Vol.159 (2) [Periódico revisado por pares]

United States: American Institute of Physics

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3
Atomistic structure search using local surrogate model
Atomistic structure search using local surrogate model
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Atomistic structure search using local surrogate model

Rønne, Nikolaj ; Christiansen, Mads-Peter V. ; Slavensky, Andreas Møller ; Tang, Zeyuan ; Brix, Florian ; Pedersen, Mikkel Elkjær ; Bisbo, Malthe Kjær ; Hammer, Bjørk

The Journal of chemical physics, 2022-11, Vol.157 (17), p.174115-174115 [Periódico revisado por pares]

Melville: American Institute of Physics

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4
Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory
Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory
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Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory

Göltl, Florian ; Grüneis, Andreas ; Bučko, Tomas ; Hafner, Jürgen

The Journal of chemical physics, 2012-09, Vol.137 (11), p.114111-114111 [Periódico revisado por pares]

United States

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5
Second-order Møller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties
Second-order Møller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties
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Second-order Møller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties

Grüneis, Andreas ; Marsman, Martijn ; Kresse, Georg

The Journal of chemical physics, 2010-08, Vol.133 (7), p.074107-074107-11 [Periódico revisado por pares]

United States: American Institute of Physics

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6
Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory
Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory
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Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory

Hesselmann, Andreas

The Journal of chemical physics, 2008-04, Vol.128 (14), p.144112-144112 [Periódico revisado por pares]

United States

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7
A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal
A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal
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A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal

Grüneis, Andreas

The Journal of chemical physics, 2015-09, Vol.143 (10), p.102817-102817 [Periódico revisado por pares]

United States: American Institute of Physics

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8
Complete basis set limit second-order Møller-Plesset calculations for the fcc lattices of neon, argon, krypton, and xenon
Complete basis set limit second-order Møller-Plesset calculations for the fcc lattices of neon, argon, krypton, and xenon
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Complete basis set limit second-order Møller-Plesset calculations for the fcc lattices of neon, argon, krypton, and xenon

Hermann, Andreas ; Schwerdtfeger, Peter

The Journal of chemical physics, 2009-12, Vol.131 (24), p.244508-244508 [Periódico revisado por pares]

United States

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9
Improved supermolecular second order Møller-Plesset intermolecularinteraction energies using time-dependent density functionalresponse theory
Improved supermolecular second order Møller-Plesset intermolecularinteraction energies using time-dependent density functionalresponse theory
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Improved supermolecular second order Møller-Plesset intermolecularinteraction energies using time-dependent density functionalresponse theory

Heßelmann, Andreas

The Journal of chemical physics, 2008-04, Vol.128 (14), p.144112-144112-9 [Periódico revisado por pares]

American Institute of Physics

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10
Complete basis set limit second-order Møller-Plesset calculationsfor the fcc lattices of neon, argon, krypton, and xenon
Complete basis set limit second-order Møller-Plesset calculationsfor the fcc lattices of neon, argon, krypton, and xenon
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Complete basis set limit second-order Møller-Plesset calculationsfor the fcc lattices of neon, argon, krypton, and xenon

Hermann, Andreas ; Schwerdtfeger, Peter

The Journal of chemical physics, 2009-12, Vol.131 (24), p.244508-244508-7 [Periódico revisado por pares]

American Institute of Physics

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