Quantum Monte Carlo studies of density functional theory
نویسندگان
چکیده
منابع مشابه
Quantum Monte Carlo studies of density functional theory
We review our variational quantum Monte Carlo (VMC) approach for evaluating the key quantities in the density functional theory of inhomogeneous many-electron systems, and describe the underlying simulation algorithm and its parallel implementation. We discuss the insights gained from our recent application of the method to the study of the density functional theory (DFT) of the strongly inhomo...
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ژورنال
عنوان ژورنال: Mathematics and Computers in Simulation
سال: 2003
ISSN: 0378-4754
DOI: 10.1016/s0378-4754(02)00247-1