Additional new computational strategies for ab initio calculations on large molecules

Autor:	Joyce J. Kaufman, P. C. Hariharan, Herbert E. Popkie
Rok vydání:	2009
Předmět:	Materials science Ab initio quantum chemistry methods Computational chemistry Molecule Physical and Theoretical Chemistry SIESTA (computer program) Condensed Matter Physics Atomic and Molecular Physics and Optics
Zdroj:	International Journal of Quantum Chemistry. 20:199-201
ISSN:	1097-461X 0020-7608
DOI:	10.1002/qua.560200821
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ae9930767f740135ae192949895d74a9 https://doi.org/10.1002/qua.560200821 Zobrazit plný text záznamu Plný text