Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method

Dmitri G. Fedorov, Pavel V. Avramov, Jan Halborg Jensen, Kazuo Kitaura

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@article{1c6a1080bfc111debda0000ea68e967b,

title = "Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method",

author = "Fedorov, {Dmitri G.} and Avramov, {Pavel V.} and Jensen, {Jan Halborg} and Kazuo Kitaura",

year = "2009",

doi = "10.1016/j.cplett.2009.06.072",

language = "English",

volume = "477",

pages = "169--175",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "1-3",

}

TY - JOUR

T1 - Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method

AU - Fedorov, Dmitri G.

AU - Avramov, Pavel V.

AU - Jensen, Jan Halborg

AU - Kitaura, Kazuo

PY - 2009

Y1 - 2009

U2 - 10.1016/j.cplett.2009.06.072

DO - 10.1016/j.cplett.2009.06.072

M3 - Journal article

SN - 0009-2614

VL - 477

SP - 169

EP - 175

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -