High-precision calculation of Hartree-Fock energy of crystals

MJ Gillan, D Alfè, S de Gironcoli, FR Manby

Research output: Contribution to journal › Article (Academic Journal) › peer-review

24 Citations (Scopus)

Translated title of the contribution	High-precision calculation of Hartree-Fock energy of crystals
Original language	English
Pages (from-to)	2098 - 2106
Number of pages	9
Journal	Journal of Computational Chemistry
Volume	29
DOIs	https://doi.org/10.1002/jcc.21033
Publication status	Published - Oct 2008

Publisher: Wiley

Access to Document

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title = "High-precision calculation of Hartree-Fock energy of crystals",

author = "MJ Gillan and D Alf{\`e} and {de Gironcoli}, S and FR Manby",

note = "Publisher: Wiley",

year = "2008",

month = oct,

doi = "10.1002/jcc.21033",

language = "English",

volume = "29",

pages = "2098 -- 2106",

journal = "Journal of Computational Chemistry",

issn = "1096-987X",

publisher = "Wiley",

}

TY - JOUR

T1 - High-precision calculation of Hartree-Fock energy of crystals

AU - Gillan, MJ

AU - Alfè, D

AU - de Gironcoli, S

AU - Manby, FR

N1 - Publisher: Wiley

PY - 2008/10

Y1 - 2008/10

U2 - 10.1002/jcc.21033

DO - 10.1002/jcc.21033

M3 - Article (Academic Journal)

C2 - 18536055

SN - 1096-987X

VL - 29

SP - 2098

EP - 2106

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

ER -