Analytical gradients for excitation energies from frozen-density embedding
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Title
Analytical gradients for excitation energies from frozen-density embedding
Authors
Keywords
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Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 31, Pages 20955-20975
Publisher
Royal Society of Chemistry (RSC)
Online
2016-03-21
DOI
10.1039/c6cp00392c
References
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Related references
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- (2010) Michael Seth et al. THEORETICAL CHEMISTRY ACCOUNTS
- Excited state geometry optimizations by time-dependent density functional theory based on the fragment molecular orbital method
- (2009) Mahito Chiba et al. CHEMICAL PHYSICS LETTERS
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- Photophysical Properties of Natural Light-Harvesting Complexes Studied by Subsystem Density Functional Theory
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- A flexible implementation of frozen-density embedding for use in multilevel simulations
- (2007) Christoph R. Jacob et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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