机译:Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework
Pohang Univ Sci & Technol POSTECH;
Heidelberg Univ;
Korea Adv Inst Sci & TechnolKTH Royal Inst Technol;
X-RAY-ABSORPTION; POTENTIAL-ENERGY SURFACE; POLARIZATION PROPAGATOR; SHELL MOLECULES; SPECTRA; SCHEME; REPRESENTATIONS; INTERPOLATION; DERIVATIVES; DYNAMICS;