TurboRVB tutorials
Here are examples of various calculations with TurboRVB.
- 01_01Hydrogen_dimer
- 01_02Hydrogen_dimer
- 02_01Lithium_dimer
- 00 Introduction
- 01 Li2 dimer and Li atom - JDFT ansatz
- 01-01 Li2 dimer: Preparing a wave function
- 01-02 Li2 dimer: generate a trial wave function using DFT.
- 01-03 Li2 dimer: Jastrow factor optimization (WF=JDFT)
- 01-04 Li2 dimer: VMC (WF=JDFT)
- 01-05 Li2 dimer: LRDMC (WF=JDFT)
- 01-06 Li atom: preparation of a wave function
- 01-07 Li atom: generate a trial wave function using DFT.
- 01-08 Li atom: Jastrow factor optimization (WF=JDFT)
- 01-09 Li atom: VMC (WF=JDFT)
- 01-10 Li atom: LRDMC (WF=JDFT)
- 02 Li2 dimer and Li atom - JSD ansatz
- 03 Li2 dimer and Li atom - JsAGPs ansatz
- 04 Li2 dimer and Li atom - JAGPu ansatz
- 04-01 Li2 dimer: prepration of a wave function
- 04-02 Li2 dimer: generate a trial wave function using DFT.
- 04-03 Li2 dimer: Check local magnetic moments
- 04-04 Li2 dimer and Li atom: Convert JDFT WF to JAGPu one
- 04-05 Li2 dimer and Li atom: Optimization (WF=JAGPu)
- 04-06 Li2 dimer and Li atom: VMC and LRDMC
- 05 Li2 dimer and Li atom - JAGP (JPf) ansatz