How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations?
ContributorsHumbert-Droz, Marie; Zhou, Xiuwen; Shedge, Sapana; Wesolowski, Tomasz Adam
Published inTheoretical Chemistry accounts, vol. 133, no. 1, 1405
Publication date2014
Abstract
Keywords
- Frozen-density
- Embedding theory
- Linear-response
- Time-dependent density functional
Affiliation entities
Research groups
Citation (ISO format)
HUMBERT-DROZ, Marie et al. How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations? In: Theoretical Chemistry accounts, 2014, vol. 133, n° 1, p. 1405. doi: 10.1007/s00214-013-1405-1
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Article (Published version)
Identifiers
- PID : unige:33263
- DOI : 10.1007/s00214-013-1405-1
Additional URL for this publicationhttp://link.springer.com/10.1007/s00214-013-1405-1
Journal ISSN1432-2234