:orphan: .. index:: *EXPECTATION VALUE .. _*EXPECTATION VALUE: =================== \*EXPECTATION VALUE =================== This section gives directives for the calculation of expectation values. .. index:: .OPERATOR .. _EXPECTATION_VALUE_.OPERATOR: .OPERATOR --------- Specification of general one-electron operators. See the :ref:`one_electron_operators` section for more information and explicit examples. **Advanced options** .. index:: .ORBANA .. _EXPECTATION_VALUE_.ORBANA: .ORBANA ------- Analyze contributions to an expectation value from the individual orbitals. .. index:: .PROJEC .. _EXPECTATION_VALUE_.PROJEC: .PROJEC ------- Decompose an expectation value in contribution from fragment orbitals. This action presupposes that a projection analysis has been performed, see :ref:`*PROJECTION` section for details. **Programmers options** .. index:: .PRINT .. _EXPECTATION_VALUE_.PRINT: .PRINT ------ Print level. *Default:* :: .PRINT 0