FGH1D

  • 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.
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3

一维势函数的振动能级拟合程序。程序有一些备选的势函数(如Morse势函数,双势阱,余弦,方势阱,等),可以在图形界面下选择,并输入有关的参数。若是来自量子化学计算的能量数据(能量单位:波数;键长:埃),可以存成数据文件后由程序读取,或者直接从剪切板读取。限制为:数据点个数必须是偶数。另外,如果数据点比较粗糙,需要插值,做法是在左侧的Range中增加点数(一般一、二百个即可,多了计算会很慢)。除了拟合光谱常数外,程序还可以显示振动波函数,进行热化学计算,等。