Level

  • 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: 
2016
评分: 
3

简介  
Level是一个对束缚态和准束缚态求解径向薛定谔方程的免费程序,可以由双原子分子的势能曲线(从光谱分析或从头计算获得)计算该电子态的光谱常数和跃迁特性。

功能  
1. 势能曲线插值。对于用从头计算获得的双原子分子势能曲线数据作图,这一功能非常重要。
2. 求解光谱常数:平衡键长;能级高度;振动光谱常数ωe,ωeχe,ωeye等;转动光谱常数,包括六个离心畸变常数(Dv,Hv,Lv,Mv,Nv,和Ov)。
3. 计算激发态的跃迁特性。包括Franck-Condon因子,爱因斯坦系数。

 

Level 8.2的新功能:
1. 支持双势阱的拟合