Time-Dependent Kohn-Sham Theory with Memory
نویسندگان
چکیده
منابع مشابه
Time-dependent density functional theory beyond Kohn-Sham Slater determinants.
When running time-dependent density functional theory (TDDFT) calculations for real-time simulations of non-equilibrium dynamics, the user has a choice of initial Kohn-Sham state, and typically a Slater determinant is used. We explore the impact of this choice on the exchange-correlation potential when the physical system begins in a 50 : 50 superposition of the ground and first-excited state o...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2005
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.95.086401