Newton-X: A surface-hopping program for nonadiabatic molecular dynamics

Wiley Interdisciplinary Reviews: Computational Molecular Science

Volumn 4, Issue 1, 2014, Pages 26-33

  Barbatti, Mario ^a   Ruckenbauer, Matthias ^b   Plasser, Felix ^c   Pittner, Jiri ^d   Granucci, Giovanni ^e   Persico, Maurizio ^e   Lischka, Hans ^c,f  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b GOETHE UNIVERSITY   (Germany)

^c UNIVERSITY OF VIENNA   (Austria)

^d J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^e UNIVERSITY OF PISA   (Italy)

^f TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION AND EMISSION SPECTRA; EXCITED-STATE ENERGY; MULTI REFERENCE CONFIGURATION INTERACTIONS; MULTICONFIGURATIONAL SELF-CONSISTENT FIELDS; NON-ADIABATIC DYNAMICS; NONADIABATIC MOLECULAR DYNAMICS; PROGRAM PACKAGES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

EMISSION SPECTROSCOPY; QUANTUM CHEMISTRY; SOFTWARE PACKAGES;

MOLECULAR DYNAMICS;

EID: 84890798835     PISSN: 17590876     EISSN: 17590884     Source Type: Journal    
DOI: 10.1002/wcms.1158     Document Type: Article

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40. Program download, documentation, tutorial, and user-discussion forum can be accessed at the Newton-X website: www.newtonx.org.