Double-pole approximation in time-dependent density functional theory (bibtex)

by Appel, H., E. K. U. Gross and Kieron Burke

Abstract:

A simple approximate solution to the linear response equations of time-dependent density functional theory (TDDFT) is given. This extends the single-pole approximation (SPA) to two strongly coupled poles.The analysis provides both an illustration of how TDDFT works when strong exchange-correlation effects are present and insight into such corrections.For example, interaction can cause a transition to vanish entirely from the optical spectrum. \textcopyright 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006

DOI link

Reference:

Double-pole approximation in time-dependent density functional theory Appel, H., E. K. U. Gross and Kieron Burke, International Journal of Quantum Chemistry 106, 2840-2847 (2006).

Bibtex Entry:

@article{AGB06,
	Pub-num = {097},
	Abstract = {A simple approximate solution to the linear response equations of time-dependent density functional theory (TDDFT) is given. This extends the single-pole approximation (SPA) to two strongly coupled poles.The analysis provides both an illustration of how TDDFT works when strong exchange-correlation effects are present and insight into such corrections.For example, interaction can cause a transition to vanish entirely from the optical spectrum. {\textcopyright} 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006},
	Author = {Appel, H. and E. K. U. Gross and Kieron Burke},
	Date-Modified = {2013-02-12 00:16:04 +0000},
	Doi = {10.1002/qua.20964},
	Issn = {1097-461X},
	Journal = {International Journal of Quantum Chemistry},
	Keywords = {excitation energies, oscillator strengths, response, TDDFT},
	Number = {14},
	Pages = {2840{-}2847},
	Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
	Title = {Double-pole approximation in time-dependent density functional theory},
	Url = {http://dx.doi.org/10.1002/qua.20964},
	Volume = {106},
	Year = {2006},
	Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.20964}}