Use of Quantum Trajectories in Computational Molecular Bioscience  

作　　者：Burke Ritchie 

机构地区：[1]Lawrence Livermore National Laboratory, Livermore Software Technology Corporation, Livermore, USA

出　　处：《Computational Molecular Bioscience》2014年第1期25-27,共3页计算分子生物学（英文）

摘　　要：A spin-dependent quantum trajectory methodology is outlined which achieves electron exchangecorrelation on an ab initio basis. The methodology is intended to give workers in electronic structure the same computational capability which has been available for decades in classical dynamics.A spin-dependent quantum trajectory methodology is outlined which achieves electron exchangecorrelation on an ab initio basis. The methodology is intended to give workers in electronic structure the same computational capability which has been available for decades in classical dynamics.

关 键 词：Quantum TRAJECTORY EXCHANGE-CORRELATION PAULI EXCLUSION PRINCIPLE 

分 类 号：O56[理学—原子与分子物理]