OpenMS
0.2.0
User guide
1. An overview of OpenMS
2. Installation
3.
lib
:
Libraries
4. Multiscale QED solvers
5. Gutzwiller Wavefunction methods
6. Quantum Monte Carlo (QMC)
7. Neural network quantum states (NQS)
8.
models
: Model systems
9. Quantum or Mixed quantum-classical dynamics
9.1. Basic electronic structure driver
9.2. Basic MD and BOMD modules
9.3. Basic Mixed quantum-class module
9.4. Trajectory Surface Hopping (TSH)
9.5. Coupled-Trajectory MQC (CTMQC) and Ab initio Multiple Cloning (AIMC)
9.6. Exact-Factorization based Coupled-Trajectory MQC (XF-CTMQC)
10. Spin Dynamics in spin and phonon baths
11. Classical Maxwell solvers
12. Quantum algorithms for chemistry, materials, and beyond
13. Linear and nonlinear solvers
14. Examples
15. References
TODO list
Changelog
OpenMS
9.
Quantum or Mixed quantum-classical dynamics
View page source
9.
Quantum or Mixed quantum-classical dynamics
This is a quantum dynamics and mixed quantum-classcal module, including: (TBA)
9.1.
Basic electronic structure driver
9.2.
Basic MD and BOMD modules
9.3.
Basic Mixed quantum-class module
9.4.
Trajectory Surface Hopping (TSH)
9.5.
Coupled-Trajectory MQC (CTMQC) and Ab initio Multiple Cloning (AIMC)
9.6.
Exact-Factorization based Coupled-Trajectory MQC (XF-CTMQC)