jparkhill / RealtimePySCFLinks
Realtime Extensions to PySCF (TDDFT etc.)
☆11Updated 7 years ago
Alternatives and similar repositories for RealtimePySCF
Users that are interested in RealtimePySCF are comparing it to the libraries listed below
Sorting:
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- Pythonic electronic structure theory.☆18Updated last month
- QMC=Chem version 2☆19Updated 2 months ago
- MRH's research code☆25Updated last week
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆15Updated 3 months ago
- ☆10Updated 4 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 4 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated last month
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- Open Orbital Optimizer☆24Updated last week
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- A Python package for wave function-based quantum embedding☆34Updated last week
- ☆13Updated 2 weeks ago
- Hartree-Fock Python☆18Updated 2 years ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- MOHA: MOlecular HAmiltonian☆15Updated last year
- An open source program for the description of metastable electronic states in molecules.☆22Updated 2 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 5 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- Set of tools for trexio files☆19Updated this week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 2 weeks ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆27Updated this week
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆37Updated last month