MCTDH

  • strict warning: Non-static method view::load() should not be called statically in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/views.module on line 906.
  • strict warning: Declaration of views_handler_argument::init() should be compatible with views_handler::init(&$view, $options) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/handlers/views_handler_argument.inc on line 744.
  • strict warning: Declaration of views_plugin_row::options_validate() should be compatible with views_plugin::options_validate(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
  • strict warning: Declaration of views_plugin_row::options_submit() should be compatible with views_plugin::options_submit(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
最新版本: 
8.4
评分: 
3

简介  
MCTDH意为多组态含时Hartree,由FORTRAN 77和少部分C编写,用于求解由可区分粒子构成的多维动力学体系的含时Schrödinger方程。因此程序可以确定分子的核在一个或几个耦合的电子势能曲面上的量子运动。MCTDH适于研究三个自由度以上的多维体系,一般是4到12个。
程序可应用于模拟光离解的吸收光谱和离解产物分布;多原子分子的吸收光谱、共振拉曼光谱和电离谱;振动预离解;分子表面的散射;热反应速率;自旋-玻色子模型;质子传递反应;等。