jparkhill / RealtimePySCFLinks
Realtime Extensions to PySCF (TDDFT etc.)
☆11Updated 8 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☆18Updated this week
- Pythonic electronic structure theory.☆22Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 3 years ago
- MRH's research code☆25Updated this week
- ☆12Updated 10 months ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 7 months ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆21Updated 5 months ago
- A Python package for wave function-based quantum embedding☆37Updated last month
- An example to implement PBC SCF☆14Updated 7 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated 2 months ago
- ☆13Updated this week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated this week
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- QMC=Chem version 2☆20Updated 2 weeks ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Donostia Natural Orbital Functional Software☆22Updated 2 weeks ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆44Updated 8 months ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- SOC integrals generator with atomic mean field approximation☆10Updated 6 months ago
- Library for local orbital scaling correction (LOSC).☆17Updated last year
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19Updated 4 years ago
- Open Orbital Optimizer☆33Updated last month
- Hartree-Fock Python☆20Updated 3 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated last week