AMICA

  • 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.
作者或出品公司: 
R. J. Gdanitz
最新版本: 
不详
评分: 
0

对一般的开壳层和多重参考情况,使用Kutzelnigg和Klopper的r12方法,包括r12-MR-CI和r12-MR-ACPF,已用于COLUMBUS的套件MR-CI中。
支持的计算类型有:
  1. Hartree-Fock,MCSCF;
  2. 多参考方法(ACPF,ACPF2,AQCC,CEPA0,CI,CPF,R12-ACPF,R12-ACPF2,R12-AQCC,R12-CEPA0,R12-CI);
  3. ACCD,CCD,CCSD,CCSD(T),CCSD[T],CCSDT-1A,LCCD,MP4(这些计算需要申请一个另外的程序DirccR12-2000)。
  4. 具有到ECCE的接口,可以在图形界面中设置AMICA的计算。