Title of article :
Quantum Monte Carlo for atoms, molecules and solids
Author/Authors :
Lester Jr.، نويسنده , , William A. and Mitas، نويسنده , , Lubos and Hammond، نويسنده , , Brian، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2009
Abstract :
The quantum Monte Carlo (QMC) method has become increasingly important for solution of the stationary Schrِdinger equation for atoms, molecules and solids. The method has been shown to exhibit high accuracy that scales better with system size than other ab initio methods. Moreover, as typically implemented, QMC takes full advantage of parallel computing systems. These attributes for electronic structure calculations will be described, as well as recent applications that demonstrate the breadth of the QMC approach.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters