Keyword category:

Configuration Interaction / Spin State

EXCITED

EXCITED — First excited singlet state will be optimized.

Usage

EXCITED

Description

Available primarily for backward compatibility, this keyword is equivalent to the keyword combination C.I.=2 SINGLET ROOT=2, which should be used instead. See Chapter 10, Configuration Interaction for a discussion of CI.

Abbreviation:

EXCI

Requires:

none

Required by:

none

Default value:

none

See also:

C.I., SINGLET, ROOT=n.