MOLCAS 7: the next generation

Francesco Aquilante; Luca De Vico; Nicolas Ferré; Giovanni Ghigo; Per-Åke Malmqvist; Pavel Neogrády; Thomas Bondo Pedersen; Michal Pitoňák; Markus Reiher; Björn O. Roos; Luis Serrano-Andrés; Miroslav Urban; Valera Veryazov; Roland Lindh

doi:10.1002/jcc.21318

MOLCAS 7: the next generation

Francesco Aquilante, Luca De Vico, Nicolas Ferré, Giovanni Ghigo, Per-Åke Malmqvist, Pavel Neogrády, Thomas Bondo Pedersen, Michal Pitoňák, Markus Reiher, Björn O. Roos, Luis Serrano-Andrés, Miroslav Urban, Valera Veryazov, Roland Lindh

Kemisk Institut

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

1496 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	Journal of Computational Chemistry
Vol/bind	31
Udgave nummer	1
Sider (fra-til)	224-247
Antal sider	24
ISSN	0192-8651
DOI	https://doi.org/10.1002/jcc.21318
Status	Udgivet - 2010

Adgang til dokumentet

10.1002/jcc.21318

Biblioteksadgang?

Tjek tilgængelighed hos det Kgl. Bibliotek

Citationsformater

@article{c1301d83b70a4dd8b645c3cc33eaf527,

title = "MOLCAS 7: the next generation",

keywords = "MOLCAS, ANO-RCC, RASPT2, ESPF, Cholesky decomposition, coupled cluster, Douglas-Kroll-Hess, photo chemistry",

author = "Francesco Aquilante and {De Vico}, Luca and Nicolas Ferr{\'e} and Giovanni Ghigo and Per-{\AA}ke Malmqvist and Pavel Neogr{\'a}dy and Pedersen, {Thomas Bondo} and Michal Pito{\v n}{\'a}k and Markus Reiher and Roos, {Bj{\"o}rn O.} and Luis Serrano-Andr{\'e}s and Miroslav Urban and Valera Veryazov and Roland Lindh",

year = "2010",

doi = "10.1002/jcc.21318",

language = "English",

volume = "31",

pages = "224--247",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",

publisher = "JohnWiley & Sons, Inc.",

number = "1",

}

TY - JOUR

T1 - MOLCAS 7

T2 - the next generation

AU - Aquilante, Francesco

AU - De Vico, Luca

AU - Ferré, Nicolas

AU - Ghigo, Giovanni

AU - Malmqvist, Per-Åke

AU - Neogrády, Pavel

AU - Pedersen, Thomas Bondo

AU - Pitoňák, Michal

AU - Reiher, Markus

AU - Roos, Björn O.

AU - Serrano-Andrés, Luis

AU - Urban, Miroslav

AU - Veryazov, Valera

AU - Lindh, Roland

PY - 2010

Y1 - 2010

KW - MOLCAS

KW - ANO-RCC

KW - RASPT2

KW - ESPF

KW - Cholesky decomposition

KW - coupled cluster

KW - Douglas-Kroll-Hess

KW - photo chemistry

U2 - 10.1002/jcc.21318

DO - 10.1002/jcc.21318

M3 - Journal article

C2 - 19499541

SN - 0192-8651

VL - 31

SP - 224

EP - 247

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

IS - 1

ER -