Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures

Biswajit Santra; Jiri Klimes; Alexandre Tkatchenko; Dario Alfe; Ben Slater; Angelos Michaelides; Roberto Car; Matthias Scheffler

Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures

Biswajit Santra, Jiri Klimes, Alexandre Tkatchenko, Dario Alfe, Ben Slater, Angelos Michaelides, Roberto Car, Matthias Scheffler

Computergestützte Materialphysik

Veröffentlichungen: Beitrag in Fachzeitschrift › Meeting Abstract/Conference Paper › Peer Reviewed

Originalsprache	Englisch
Aufsatznummer	199-COMP
Seitenumfang	1
Fachzeitschrift	American Chemical Society. Abstracts of Papers (at the National Meeting)
Jahrgang	248
Publikationsstatus	Veröffentlicht - 10 Aug. 2014
Veranstaltung	248th ACS National Meeting & Exposition - San Francisco, USA / Vereinigte Staaten Dauer: 10 Aug. 2014 → 14 Aug. 2014

ÖFOS 2012

103009 Festkörperphysik
103015 Kondensierte Materie
103025 Quantenmechanik
103036 Theoretische Physik

Zitationsweisen

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title = "Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures",

author = "Biswajit Santra and Jiri Klimes and Alexandre Tkatchenko and Dario Alfe and Ben Slater and Angelos Michaelides and Roberto Car and Matthias Scheffler",

year = "2014",

month = aug,

day = "10",

language = "English",

volume = "248",

journal = "American Chemical Society. Abstracts of Papers (at the National Meeting)",

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note = "248th ACS National Meeting & Exposition ; Conference date: 10-08-2014 Through 14-08-2014",

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TY - JOUR

T1 - Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures

AU - Santra, Biswajit

AU - Klimes, Jiri

AU - Tkatchenko, Alexandre

AU - Alfe, Dario

AU - Slater, Ben

AU - Michaelides, Angelos

AU - Car, Roberto

AU - Scheffler, Matthias

PY - 2014/8/10

Y1 - 2014/8/10

M3 - Meeting abstract/Conference paper

SN - 0065-7727

VL - 248

JO - American Chemical Society. Abstracts of Papers (at the National Meeting)

JF - American Chemical Society. Abstracts of Papers (at the National Meeting)

M1 - 199-COMP

T2 - 248th ACS National Meeting & Exposition

Y2 - 10 August 2014 through 14 August 2014

ER -