Elecoup主要功能有：1 基于HF计算两个激发态之间的耦合积分； 2 两个分子片之间的电荷迁移积分； 3 两个分子片激发态之间的耦合积分等。

== 一般关键词 ==
=== Iprt ===

=== UHF ===

=== Nexcit ===

=== GR_APR ====

=== HPALPHA ===

=== HPBETA ===

=== DFT ===

=== ENETRANS ===

=== ELECTRANS ===

=== TDDFT ===

=== Threshcoef ===

=== Orthomo ===




== 高级关键词 ==