Hybrid RHF/MP2 Geometry Optimizations with the Effective Fragment Molecular Orbital Method

Anders S. Christensen, Casper Steinmann, Dmitri G. Fedorov, Jan H. Jensen

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@article{321dc11969bd4154b961c4f720284a50,

title = "Hybrid RHF/MP2 Geometry Optimizations with the Effective Fragment Molecular Orbital Method",

author = "Christensen, {Anders S.} and Casper Steinmann and Fedorov, {Dmitri G.} and Jensen, {Jan H.}",

year = "2014",

month = feb,

day = "1",

doi = "10.1371/journal.pone.0088800",

language = "English",

volume = "9",

pages = "e88800",

journal = "PLOS ONE",

issn = "1932-6203",

publisher = "Public Library of Science",

number = "2",

}

TY - JOUR

T1 - Hybrid RHF/MP2 Geometry Optimizations with the Effective Fragment Molecular Orbital Method

AU - Christensen, Anders S.

AU - Steinmann, Casper

AU - Fedorov, Dmitri G.

AU - Jensen, Jan H.

PY - 2014/2/1

Y1 - 2014/2/1

U2 - 10.1371/journal.pone.0088800

DO - 10.1371/journal.pone.0088800

M3 - Journal article

SN - 1932-6203

VL - 9

SP - e88800

JO - PLOS ONE

JF - PLOS ONE

IS - 2

ER -