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Basis expansion leaping: A new method to solve the time-dependent Schrödinger equation for molecular quantum dynamics

Date

Authors

Koch, Werner

Frankcombe, Terry

Publisher

American Physical Society

Abstract

A wide variety of molecular systems that have recently come into the reach of experimental and theoretical investigation is dominated by quantum phenomena. However, even state of the art quantum propagation techniques are either unsuitable for general app

Keywords

Keywords: 3 degrees of freedom; Computational resources; General applications; Quantum phenomena; Quantum propagation; Strong interference; Theoretical investigations; Tunneling characteristics; Mechanics; Quantum theory

URI

http://hdl.handle.net/1885/73148

Collections

ANU Research Publications

Source

Physical Review Letters

Type

Journal article

Access Statement

Open Access

DOI

10.1103/PhysRevLett.110.263202

Downloads

File

Description

01_Koch_Basis_expansion_leaping:_A_new_2013.pdf (525.14 KB)