R-matrix

  • strict warning: Only variables should be passed by reference in /home/vasp/wwwroot/drupal-6.33/modules/book/book.module on line 559.
  • 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: 
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简介  
R-矩阵方法把空间分割为两个区域:
内部空间:类似于束缚态电子结构问题,用量子化学代码ALCHEMY和Sweden-Molecule求解(HF和CI)。
外部空间:类似于电子-原子间的碰撞,但实际情况更为复杂。
在低碰撞能量区,必须考虑的过程有:电子激发,振动激发,转动激发,分离附着与再结合,弹性散射,分解散射。
最新的程序用Fortran 90/95编写,有用于双原子分子和多原子分子的两个版本。