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Title: Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4901328· OSTI ID:1224285
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Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1224285
Alternate ID(s):
OSTI ID: 1420700
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 141 Journal Issue: 17; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 18 works
Citation information provided by
Web of Science

References (35)

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Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning journal June 2014
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Broadband 2D Electronic Spectroscopy Reveals a Carotenoid Dark State in Purple Bacteria journal April 2013
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Discontinuity of valence CASSCF wave functions around weakly avoided crossing between valence configurations journal August 1990
Theoretical and Experimental Spectroscopy of the S 2 State of CHF and CDF: Dynamically Weighted Multireference Configuration Interaction Calculations for High-Lying Electronic States journal January 2010
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