Function sequant::closed_shell_CC_spintrace

• Defined in File spin.cpp

Function Documentation

ExprPtr sequant::closed_shell_CC_spintrace(ExprPtr const &expr)

Transforms Coupled cluster from spin orbital to spatial orbitals.

The external indices are deduced from Antisymmetrization operator

Parameters:

expr – ExprPtr to Sum type with spin orbital indices

Returns:

an expression with spin integrated/adapted