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描述可用性例子 描述 请求使用请求使用[Pople67]进行半经验计算。...

G09Defaults

This page documents the calculation defaults from Gaussian 09.

EET

This keyword performs an excitation energy transfer calculation using the results of the CIS/TDA/TD-DFT calculation or of an EOM-CCSD calculation.

CIS

The CIS method keyword requests a calculation on excited states using single-excitation CI.

Link 0 Commands

Describes available Link0 directives, which are placed prior to the route section in an input file and specify scratch file locations, resource usage and the like.

SideMenu

SideMenu