Ultrafast Photoionization and Dissociation process in Atoms, molecules and clusters
1. ePolyScat
A iron-law program for computing electron-molecule scattering and molecular photoionization cross sections.
2. offline analysis of ePolyScat
A post-processing suite for ePolyScat calculations, and general tool for photoionzation calculations.
3. Associated quantum chemistry softwares and quick tools:
Gaussion:
Molpro:
Gamess:
MolCAS:
Q-Chem:
ORCA:
VIM:
4. Python Online wiki:
Python Programming And Numerical Methods: A Guide For Engineers And Scientists
Probe and Control of electron dynamics in Condensed Matter
1. General database:
Material Projects:
Topological Classification:
Topological Classification:
Topological Material Database:
Space group Crystal Collection:
Standard solid-state pseudopotentials (SSSP):
See K-path:
Vasp kit:
The k-vector types and Brillouin zones of the space groups:
Table of Space Group Symbols:
2. Associated programs for a.b. initio quantum calculations
VASP:
Quantum-Espresso:
Octopus:
3. X-ray database and the Center For X-ray Optics
X-ray Transmission of solid materials
X-ray Transmission of common gases
X-ray Reflectivity of single layer mirrors
Grating Dispersion Calculators from PrincetonInstruments