Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation
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Publisher
Springer International Publishing
Link
http://link.springer.com/content/pdf/10.1007/128_2015_632
Reference112 articles.
1. Rowlinson JS (2009) The border between physics and chemistry. Bull Hist Chem 34:1
2. Casida ME, Jamorski C, Casida KC, Salahub DR (1998) Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: characterization and correction of the time-dependent local density approximation ionization threshold. J Chem Phys 108:4439
3. Casida ME (2002) Jacob’s ladder for time-dependent density-functional theory: some rungs on the way to photochemical heaven. In: Hoffmann MRH, Dyall KG (eds) Accurate description of low-lying molecular states and potential energy surfaces. ACS, Washington, p 199
4. Doltsinis NL, Marx D (2002) First principles molecular dynamics involving excited states and nonadiabatic transitions. J Theo Comput Chem 1:319
5. Cordova F, Doriol LJ, Ipatov A, Casida ME, Filippi C, Vela A (2007) Troubleshooting time-dependent density-functional theory for photochemical applications: oxirane. J Chem Phys 127:164111
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