Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5417000 | Journal of Molecular Structure: THEOCHEM | 2010 | 5 Pages |
Abstract
A thermodynamical transcription of time-dependent density functional theory is developed. Balance equations for the energy and entropy are derived.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Á. Nagy,