TY  - JOUR
A1  - Nest, Mathias
A1  - Klamroth, Tillmann
A1  - Saalfrank, Peter
T1  - The multiconfiguration time-dependent Hartree-Fock method for quantum chemical calculations
N2  - We apply the multiconfiguration time-dependent Hartree-Fock method to electronic structure calculations and show that quantum chemical information can be obtained with this explicitly time-dependent approach. Different equations of motion are discussed, as well as the numerical cost. The two-electron integrals are calculated using a natural potential expansion, of which we describe the convergence behavior in detail
Y1  - 2005
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/13792
SN  - 0021-9606
ER  -