N -representability-driven reconstruction of the two-electron reduced-density matrix for a real-time time-dependent electronic structure method - Jeffcoat, David B.; DePrince, A. Eugene (The Journal of chemical physics, 2014)
Keywords: COMPARATIVE EVALUATIONS; CONFIGURATION INTERACTION; Density; DENSITY MATRIX; DIPOLE MOMENTS; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; ELECTRONS; EQUATIONS OF MOTION; EXCITATION; EXCITED STATES; Ground state; GROUND STATES; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; OPTIMIZATION; OSCILLATIONS; Physics; Symmetry; TIME DEPENDENCE; VARIATIONAL METHODS