Excitation Energies in Time-Dependent (Current-) Density-Functional Theory: A Simple Perspective Export

@article{citeulike:4026011, abstract = {doi: 10.1021/ct800507m This paper gives a simple and pedagogical explanation, using density matrices of two-level systems, how to calculate excitation energies with time-dependent density-functional theory. The well-known single-pole approximation for excitation energies is derived here in an alternative way and extended to time-dependent current-density-functional theory.}, author = {Ullrich, C. A.}, citeulike-article-id = {4026011}, citeulike-linkout-0 = {http://dx.doi.org/10.1021/ct800507m}, citeulike-linkout-1 = {http://pubs.acs.org/doi/abs/10.1021/ct800507m}, doi = {10.1021/ct800507m}, journal = {Journal of Chemical Theory and Computation}, keywords = {tddft}, number = {0}, posted-at = {2009-06-11 10:46:41}, priority = {2}, title = {Excitation Energies in Time-Dependent (Current-) Density-Functional Theory: A Simple Perspective}, url = {http://dx.doi.org/10.1021/ct800507m}, volume = {0}, year = {0000} }

TY - JOUR ID - citeulike:4026011 L3 - citeulike-article-id:4026011 N2 - doi: 10.1021/ct800507m This paper gives a simple and pedagogical explanation, using density matrices of two-level systems, how to calculate excitation energies with time-dependent density-functional theory. The well-known single-pole approximation for excitation energies is derived here in an alternative way and extended to time-dependent current-density-functional theory. IS - 0 JF - Journal of Chemical Theory and Computation TI - Excitation Energies in Time-Dependent (Current-) Density-Functional Theory: A Simple Perspective VL - 0 KW - tddft AU - Ullrich, CA PY - 2000/// UR - http://dx.doi.org/10.1021/ct800507m ER -