Implementation of surface hopping molecular dynamics using semiempirical methods

Fabiano, E.; Keal, T. W.; Thiel, W.

doi:10.1016/j.chemphys.2008.01.044

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Implementation of surface hopping molecular dynamics using semiempirical methods

Fabiano, E., Keal, T. W., & Thiel, W. (2008). Implementation of surface hopping molecular dynamics using semiempirical methods. Chemical Physics, 349, 334-347. doi:10.1016/j.chemphys.2008.01.044.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-8FFB-B Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-3127-D

Genre: Journal Article

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Creators:
Fabiano, E.¹, Author
Keal, T. W.¹, Author
Thiel, W.¹, Author

Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590

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Free keywords: surface hopping; molecular dynamics; potential-energy surfaces; conical intersections; nonadiabatic coupling terms; semiempirical methods

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Language(s): eng - English

Dates: Date issued: 2008

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 407028
DOI: 10.1016/j.chemphys.2008.01.044
ISI: 000257538300039

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Title: Chemical Physics

Alternative Title : Chem. Phys.

Source Genre: Journal

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Pages: - Volume / Issue: 349 Sequence Number: - Start / End Page: 334 - 347 Identifier: ISSN: 0301-0104