非绝热过程和势能面交叉的关系

  • 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.

绝热过程是指在变化过程中电子的构型保持不变,如垂直激发就属于此例;非绝热过程是指在变化过程中电子的构型会发生变化,既有一个在变化后通过驰豫达到更佳电子构型的过程[从能量的角度来说就是就是使体系的能量更低]。在不含过渡金属的不考虑光化学细节的体系中,绝热近似是合理的,但对于含过渡金属的体系,由于d轨道不满,存在着多种电子构型的可能,这时就要考虑一种电子构型向另一种电子构型跃迁的可能,也就是势能面交叉,所以非绝热过程一般都伴随着势能面的交叉。