The linear and quadratic response functions have been determined for a coupled cluster reference state. From the response functions, computationally tractable expressions have been derived for excitation energies, first- and second-order matrix transition elements, transition matrix elements between excited states, and second- and third-order frequency-dependent molecular properties. © 1990 American Institute of Physics.

Coupled cluster response functions

Koch, Henrik
;
1990

Abstract

The linear and quadratic response functions have been determined for a coupled cluster reference state. From the response functions, computationally tractable expressions have been derived for excitation energies, first- and second-order matrix transition elements, transition matrix elements between excited states, and second- and third-order frequency-dependent molecular properties. © 1990 American Institute of Physics.
Physics and Astronomy (all); Physical and Theoretical Chemistry
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11384/69771
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