三种不同表象下多组态含时Hartree Fock理论实现方案  

Multi-configuration time dependent Hartree Fock method in three different representations

作　　者：李文亮[1] 张季[1] 姚洪斌[1] 

机构地区：[1]新疆工程学院基础部物理分部,乌鲁木齐830091

出　　处：《物理学报》2013年第12期196-211,共16页Acta Physica Sinica

基　　金：新疆维吾尔自治区高校科研计划(批准号:XJEDU2012S41);国家自然科学基金(批准号:10974198)~~

摘　　要：多组态含时Hartree Fock理论方法作为一种研究强激光场中多电子原子分子体系动力学行为的一种有效手段,近几年来备受关注.本文介绍了该方法的发展历史,重点介绍了本研究组近几年来对该理论方法的发展,以及多组态含时Hartree Fock理论方法在原子基函数表象、格点表象、二次量子化表象不同的实现方案,并就典型体系做了大量详细的计算.同时也详细介绍了该方法在实际应用中存在的挑战,展望了多组态含时Hartree Fock理论方法的发展应用前景.As a powerful tool to deal with multi-electron dynamics in strong laser field, multi-configuration time-dependent Hartree Fock （MCTDHF） method has attracted great attention. In this paper, the strategy of the implement of the MCTDHF theory is illustrated in the paper in detail. We develop three types of Fortran source soft packages based on three different bases to study correlated dynamics of atoms and molecules in strong laser field. The calculated soft-packages based on the theory are introduced in detail. The calculations are performed by using the soft-package. The prospect of the MCTDHF approach to simulating the multi-electron dynamics in strong laser field are also presented.

关 键 词：强激光场 多电子动力学 电子相关 

分 类 号：O561[理学—原子与分子物理]