Influence of the active space on CASSCF nonadiabatic dynamics simulations-Reference-Cited by-同舟云学术

Influence of the active space on CASSCF nonadiabatic dynamics simulations

Published:2011-01-18 Issue:13 Volume:111 Page:3307-3315
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Szymczak Jaroslaw J.,Barbatti Mario,Lischka Hans

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.22978/fullpdf

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5. Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods

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