Results 241 to 250 of about 811,421 (270)

Approximate time-dependent density functional theory

Journal of Molecular Structure: THEOCHEM, 2009
Abstract In this contribution, we summarize recent advances in the development of the time-dependent density functional based tight-bind method (TD-DFTB). The scheme is characterized by (i) the use of a limited, usually minimal basis, (ii) a two-center approximation for the Kohn–Sham Hamiltonian, (iii) a second-order functional expansion of the total
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Time-dependent pair density functional theory

The European Physical Journal B, 2018
Time-dependent pair density functional theory is presented. The Runge-Gross theorem is extended to the pair density and proved. A “non-interacting scheme” of electron pairs is constructed via adiabatic connection. Equations for the auxiliary pair functions are derived.
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Time-Dependent Density Functional Theory for Spin Dynamics

2018
With the development of ultrashort sub-picosecond laser pulses, the last two decades have witnessed the emergence of a new field of magnetism, namely, femtomagnetism. This consists of controlling the magnetic interactions by using purely optical stimuli at sub-picosecond timescales, where both the exchange interaction and the magnetic anisotropy cannot
Elliott, P., Stamenova, M., Simoni, J., Sharma, S., Sanvito, S., Gross, E.   +5 more
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Time-Dependent Current Density Functional Theory

2012
The nonlocality of the exchange-correlation (xc) potential, i.e., the fact that the xc potential at a certain position depends on the global distribution of the particles in space, is the curse of density functional theory. It is mainly because of this fact that, even after years of intensive studies, the exact form of the xc potential as a functional ...
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Time-Dependent Density-Functional Theory for Superconductors

Physical Review Letters, 1994
, Wacker, , Kümmel, , Gross
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Computational predictions of energy materials using density functional theory

Nature Reviews Materials, 2016
Anubhav Jain, Yongwoo Shin, Kristin A Persson   +2 more
exaly  

Time-Dependent Density Functional Theory

2022
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Time-dependent density functional theory

2019
Aurel Bulgac, Michael McNeil Forbes
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Clinical characteristics, pathophysiology, and management of noncentral nervous system cancer‐related cognitive impairment in adults

Ca-A Cancer Journal for Clinicians, 2015
Jeffrey S Wefel, Shelli R Kesler
exaly  

Functional Imaging of Cancer with Emphasis on Molecular Techniques

Ca-A Cancer Journal for Clinicians, 2007
Mohamed Houseni
exaly