The TDDVR approach for molecular photoexcitation, molecule-surface and triatomic reactive scattering processes

• Published in: International reviews in physical chemistry Vol. 37; no. 3-4; pp. 607 - 700
• Main Authors: Mandal, Souvik, Ghosh, Sandip, Sardar, Subhankar, Adhikari, Satrajit
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 02.10.2018; Taylor & Francis Ltd
• Subjects: Basis functions; Complexity; Computational efficiency; Copper; Dirac-Frenkel variational principle; Equations of motion; Inelastic scattering; Mathematical analysis; Metal surfaces; molecule-surface scattering; Nickel; Parallel processing; Parameters; photoabsorption spectra; Photoexcitation; TDDVR; Time dependence; Transition probabilities; triatomic reaction dynamics

The Time Dependent Discrete Variable Representation (TDDVR) method was initiated by Adhikari and Billing considering time dependent Gauss-Hermite basis functions, where all the parameters were assumed to be time dependent. Adhikari et al. had reformulated the TDDVR approach considering the width par...