Quantum theory - Document - PDFSEARCH.IO

First Page		Document Content
Date: 2011-05-31 10:47:49 Computational physics Computational chemistry Theoretical chemistry Density functional theory Ab initio quantum chemistry methods Pseudopotential Physical Review John Perdew Chemistry Physics Science		Add to Reading List Source URL: tulane.edu Download Document from Source Website File Size: 45,70 KB Share Document on Facebook

	THE JOURNAL OF CHEMICAL PHYSICS 122, 144101 共2005兲 Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: A new route via implicit differentiation Nikos L. DocID: 1q9fQ - View Document
	Contributed Talks (alphabetically ordered following the speaker’s surname) 111 DocID: 1oHNh - View Document
	SISPAD 2012, September 5-7, 2012, Denver, CO, USA Emprirical Pseudopotential Calculations of Two-dimensional Electronic States in 4H-SiC Inversion layers Ryuta Watanabe1 and Yoshinari Kamakura1,2 DocID: 1kXqq - View Document
	Pseudopotentials (Part II) and PAW Georg KRESSE ¨ Materialphysik and Center for Computational Materials Science Institut fur Universit¨at Wien, Sensengasse 8, A-1090 Wien, Austria DocID: 1ghrs - View Document
	PDF Document DocID: 17q7f - View Document