The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

MH Beck, A Jäckle, GA Worth, HD Meyer - Physics reports, 2000 - Elsevier
A review is given on the multiconfiguration time-dependent Hartree (MCTDH) method, which
is an algorithm for propagating wavepackets. The formal derivation, numerical …

Quantum scattering calculations on chemical reactions

SC Althorpe, DC Clary - Annual review of physical chemistry, 2003 - annualreviews.org
▪ Abstract This review discusses recent quantum scattering calculations on bimolecular
chemical reactions in the gas phase. This theory provides detailed and accurate predictions …

[图书][B] Chaos in classical and quantum mechanics

MC Gutzwiller - 2013 - books.google.com
Describes the chaos apparent in simple mechanical systems with the goal of elucidating the
connections between classical and quantum mechanics. It develops the relevant ideas of …

Time-dependent quantum-mechanical methods for molecular dynamics

R Kosloff - The Journal of Physical Chemistry, 1988 - ACS Publications
I. Introduction Chemical change is brought about by the motion of electrons and nuclei within
reactingmolecules. The description of this internal motion is the subject of molecular …

[图书][B] Photodissociation dynamics: spectroscopy and fragmentation of small polyatomic molecules

R Schinke - 1995 - books.google.com
Photodissociation induced by the absorption of single photons permits the detailed study of
molecular dynamics such as the breaking of bonds, internal energy transfer and …

Physics-enhanced neural networks learn order and chaos

A Choudhary, JF Lindner, EG Holliday, ST Miller… - Physical Review E, 2020 - APS
Artificial neural networks are universal function approximators. They can forecast dynamics,
but they may need impractically many neurons to do so, especially if the dynamics is chaotic …

Control of ultrafast molecular photodissociation by laser-field-induced potentials

ME Corrales, J González-Vázquez, G Balerdi… - Nature …, 2014 - nature.com
Experiments aimed at understanding ultrafast molecular processes are now routine, and the
notion that external laser fields can constitute an additional reagent is also well established …

Split-operator spectral method for solving the time-dependent Schrödinger equation in spherical coordinates

MR Hermann, JA Fleck Jr - Physical Review A, 1988 - APS
A spectral method previously developed for solving the time-dependent Schrödinger
equation in Cartesian coordinates is generalized to spherical polar coordinates. The …

An efficient procedure for calculating the evolution of the wave function by fast Fourier transform methods for systems with spatially extended wave function and …

R Heather, H Metiu - The Journal of chemical physics, 1987 - pubs.aip.org
Various methods using fast Fourier transform algorithms or other ''grid''methods for solving
the time‐dependent Schrödinger equation are very efficient if the wave function remains …

Quantum mechanics of classically non-integrable systems

B Eckhardt - Physics Reports, 1988 - Elsevier
In the semiclassical limit, quantum mechanics shows differences between classically
integrable abd chaotic systems. Here we review recent developments in this field. Topics …