Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces

Hermes, Matthew R.; Hirata, So

doi:10.1063/1.4904220

Title: Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces

Journal Article · Tue Dec 30 00:00:00 EST 2014 · The Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4904220· OSTI ID:1226649

Hermes, Matthew R. ^[1]; Hirata, So ^[2]

Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801, USA
Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801, USA, CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-11ER16211

OSTI ID:: 1226649

Journal Information:: The Journal of Chemical Physics, Journal Name: The Journal of Chemical Physics Vol. 141 Journal Issue: 24; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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References (25)

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First-Order Dyson Coordinates and Geometry Hermes, Matthew R.; Hirata, So The Journal of Physical Chemistry A, Vol. 117, Issue 32 https://doi.org/10.1021/jp4008834	journal	May 2013
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Size-extensive vibrational self-consistent field method Keçeli, Murat; Hirata, So The Journal of Chemical Physics, Vol. 135, Issue 13 https://doi.org/10.1063/1.3644895	journal	October 2011
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Erratum: “Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces” [J. Chem. Phys. 141, 244111 (2014)]

Journal Article · Wed Sep 30 00:00:00 EDT 2015 · The Journal of Chemical Physics · OSTI ID:1226649

Hermes, Matthew R.; Hirata, So

Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces

Journal Article · Sun Dec 28 00:00:00 EST 2014 · Journal of Chemical Physics · OSTI ID:1226649

Hermes, Matthew R.; Hirata, So

Erratum: “Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces” [J. Chem. Phys. 141, 244111 (2014)]

Journal Article · Mon Sep 28 00:00:00 EDT 2015 · Journal of Chemical Physics · OSTI ID:1226649

Hermes, Matthew R.; Hirata, So

Title: Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces

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