Systematic Improvement of Energy-Components by Simultaneous Optimization of Exponents and Centers of Gaussian-Type Function Basis Sets for Molecular Self-Consistent-Field Wave Functions.

Systematic Improvement of Energy-Components by Simultaneous Optimization of Exponents and Centers of Gaussian-Type Function Basis Sets for Molecular Self-Consistent-Field Wave Functions.
复制标题

通过同时优化分子自洽场波函数高斯型函数基集的指数和中心来系统改进能量分量。

DOI:
--
复制
发表时间:
2010
期刊:
J.Comp.Chem.Jpn. 9(Invited pape)
影响因子:
--
通讯作者:
M.Tachikawa
M.Tachikawa
中科院分区:
--
文献类型:
--
作者:
T.Ishimoto;M.Tachikawa

文献摘要

相似文献