DMTDHF: a full dimensional time-dependent Hartree-Fock program for diatomic molecules in strong laser fields

DOI10.1016/J.CPC.2015.04.008MaRDI QIDQ312813zbMATH OpenOpenAlexFDO

Authors Zengxiu Zhao, Jianmin Yuan, Bin Zhang

Publication date 9 September 2016

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2015.04.008

zbMATH Keywords

diatomic moleculeHHGstrong field ionizationTDHF

Mathematics Subject Classification ID

Molecular physics (81V55) Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10)

Recommendations

• Solving for the time-dependent multi-configuration Hartree-Fock equations based on sine-discrete variable representation
• Multi-electron dynamics in strong laser fields
• A finite difference Hartree-Fock program for atoms and diatomic molecules
• Computational strong-field quantum dynamics. Intense light-matter interactions
• Qprop: A Schrödinger-solver for intense laser-atom interaction

Cites work

• A new \texttt{Fortran 90} program to compute regular and irregular associated Legendre functions
• ALTDSE: an Arnoldi-Lanczos program to solve the time-dependent Schrödinger equation
• Atoms in intense, ultrashort laser pulses: non-dipole and relativistic effects
• Coupled-channel scattering and separation of coupled differential equations by generalized Darboux transformations
• scientific article; zbMATH DE number 3863589 (Why is no real title available?)
• LAPACK Users' Guide
• Numerical recipes. The art of scientific computing.
• Time-dependent density functional theory

Cited in

(6)

• Solving for the time-dependent multi-configuration Hartree-Fock equations based on sine-discrete variable representation
• Multi-electron dynamics in strong laser fields
• Time-dependent generalized pseudospectral method for accurate treatment of multiphoton processes of diatomic molecules in intense laser fields
• MP-CITDSE: a set of \textit{ab-initio} programs for the simulation of hydrogenic and helium-like atom-laser interactions
• SLIMP 2.0: a new version of strong laser interaction model package for atoms and molecules, now with molecular orbital tomography based on high-order harmonic spectra
• DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions

Describes a project that uses

Uses Software

• Associated Legendre Functions
• DMTDHF
• SLIMP
• ALTDSE
• LAPACK
• OCTOPUS
• GAMESS

This page was built for publication: DMTDHF: a full dimensional time-dependent Hartree-Fock program for diatomic molecules in strong laser fields

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q312813)