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Wave
Packet Dynamical Simulation Package (WPD)
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- Calculation of dynamical processes
- Tunneling probability and current
- Eigenstates, wave functions
- Density distributions
- Calculations for realistic models even on
a PC
- Well paralellizable algorithm for
multicore computers
- http://www.mfa.kfki.hu/~mark/phd/index.html
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Web-Schrödinger
Interactive Schrödinger Equation Solver
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VASP DFT (Vienna Ab-initio Simulation
Package)
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- Calculation of electronic structure
- Geometry optimization
- LDA, GGAs, metaGGAs
- Hartree-Fock, Hartree-Fock/DFT hybrids
- Calculations for realistic models even on
a PC
- Well paralellizable algorithm for
multicore computers
- https://www.vasp.at
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