@article{NestKlamrothSaalfrank2005, author = {Nest, Mathias and Klamroth, Tillmann and Saalfrank, Peter}, title = {The multiconfiguration time-dependent Hartree-Fock method for quantum chemical calculations}, issn = {0021-9606}, year = {2005}, abstract = {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}, language = {en} }