Quantum dynamics simulations using Gaussian wavepackets: the vMCG method

• Published in: International reviews in physical chemistry Vol. 34; no. 2; pp. 269 - 308
• Main Authors: Richings, G.W., Polyak, I., Spinlove, K.E., Worth, G.A., Burghardt, I., Lasorne, B.
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 03.04.2015; Taylor & Francis Ltd
• Subjects: Chemical Sciences; Convergence; direct quantum dynamics; Dynamics; Evolution; Exact solutions; Gaussian; Gaussian wavepackets; Mathematical analysis; Mathematical functions; Mathematical problems; Normal distribution; or physical chemistry; Quantum chemistry; quantum dynamics simulations; Quantum physics; Schrodinger equation; Schroedinger equation; Simulation; Theoretical and; theoretical chemistry; Waveform analysis

Gaussian wavepacket methods are an attractive way to solve the time-dependent Schrödinger equation (TDSE). They have an underlying trajectory picture that has a natural connection to semi-classical mechanics, allowing a simple pictorial interpretation of an evolving wavepacket. They also have better...