Visualitzant per matèria "Anàlisi harmònica"

A different approach for calculating Franck-Condon factors including anharmonicity

Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules

Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene

Variational calculation of vibrational linear and nonlinear optical properties

Simulation of photoelectron spectra with anharmonicity fully included: application to the X2A2 <- X1A1 band of furan

Variational calculation of static and dynamic vibrational nonlinear optical properties

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes