Pinned Repositories
Block_sampling_determinants
sampling determinants for externally corrected CCSD (https://doi.org/10.1021/acs.jctc.1c00205). This repository is a clone of https://github.com/shengg/stochastic_pDMRG and https://github.com/sanshar/Block
excc
Extrapolation_with_Adam_optimization
Extrapolation scheme to estimate overlap between approximate and exact MPS. (using gradient descent with Adam optimization algorithms)
Fe4S4_gen_CAS
gen_FCIDUMP_for_Dyall_Hamiltonian
pyblock
python3 interface for DMRG code block 1.5.3
pyscf-ecCC-TCC
pyxray_preview
A library for X-ray spectrum simulation
Refs_EQA_GSQC
StackBlock_sampling_determinants
seunghoonlee89's Repositories
seunghoonlee89/Refs_EQA_GSQC
seunghoonlee89/pyxray_preview
A library for X-ray spectrum simulation
seunghoonlee89/Fe4S4_gen_CAS
seunghoonlee89/Extrapolation_with_Adam_optimization
Extrapolation scheme to estimate overlap between approximate and exact MPS. (using gradient descent with Adam optimization algorithms)
seunghoonlee89/pyscf-ecCC-TCC
seunghoonlee89/Block_sampling_determinants
sampling determinants for externally corrected CCSD (https://doi.org/10.1021/acs.jctc.1c00205). This repository is a clone of https://github.com/shengg/stochastic_pDMRG and https://github.com/sanshar/Block
seunghoonlee89/excc
seunghoonlee89/gen_FCIDUMP_for_Dyall_Hamiltonian
seunghoonlee89/pyblock
python3 interface for DMRG code block 1.5.3
seunghoonlee89/StackBlock_sampling_determinants
seunghoonlee89/Adiabatic_State_Preparation
seunghoonlee89/Entropy
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
seunghoonlee89/gpu4pyscf
A plugin to use Nvidia GPU in PySCF package
seunghoonlee89/Hubbard_DMRG_toy_code
my first dmrg code for hubbard model (inefficient, no U1, SU2 symmetry)
seunghoonlee89/mcpdft
MC-PDFT as a standalone PySCF extension module
seunghoonlee89/pyscf
Python module for quantum chemistry
seunghoonlee89/pyscf-doc
pyscf-doc
seunghoonlee89/SecondQuantizationAlgebra
Software package to handle the many-fermionic operator
seunghoonlee89/SI-benzene-paper-DMRG
An integral file (FCIDUMP) for the benzene benchmark DMRG calculation. (https://doi.org/10.1021/acs.jpclett.0c02621)