Documentations
This documentation contains various tutorials for TurboRVB, TurboGenius, and TurboWorkflows. If you have any question and request, please contact Kosuke Nakano [kousuke_1123@icloud.com].
- Installation of packages
- TurboRVB manuals
- Turbo-Genius tutorials
- Important introduction for TurboGenius
- The simplest example: the hydrogen dimer with a Jastrow–Slater single-determinant ansatz via Variational Monte Carlo (VMC) and lattice-regularized Diffusion Monte Carlo (LRDMC)
- Ammonia with a Jastrow–Slater single-determinant ansatz via VMC and LRDMC using effective core potentials (ECPs)
- Periodic hydrogen chain with a Jastrow–Slater single-determinant ansatz via VMC and LRDMC using ECPs
- SiO2 crystal (Gamma-point) with a Jastrow-Slater single-determinant ansatz via VMC and LRDMC using ECPs
- Diamond at a general k-point with a Jastrow–Slater single-determinant ansatz via VMC and LRDMC using ECPs
- Diamond with k-point (twist) averaging using a Jastrow–Slater single-determinant ansatz via VMC and LRDMC with ECPs
- h-BN with a Jastrow–Slater single-determinant ansatz via VMC and LRDMC using ECPs: two-body finite-size corrections
- c-BN (conventional cell) with a Jastrow–Slater single-determinant ansatz via VMC and LRDMC using ECPs: two-body finite-size corrections
- c-BN (primitive cell) with a Jastrow–Slater single-determinant ansatz via VMC and LRDMC using ECPs: two-body finite-size corrections
- Benzene with a Jastrow–Slater single-determinant (JSD) and Jastrow–Antisymmetrized Geminal Function ansatz (JAGP)
- A more flexible ansatz: the hydrogen dimer with a Jastrow–Antisymmetrized Geminal Power (JAGP) ansatz via VMC and lattice-regularized DMC (LRDMC)
- Structural optimization of the hydrogen dimer
- Hydrogen dimer calculation starting from the built-in DFT code ‘prep’
- A challenging case: the spin-singlet carbon dimer with various ansätze
- A challenging case: the spin-singlet carbon dimer with various ansätze
- Benzene: Kekulé vs. Resonating Structures
- TurboWorkflows tutorials