Configuration Set

QM_Hamiltonian_ethanol_dft__CS_62kjyx2nr4q0_0




Name QM_Hamiltonian_ethanol_dft
Extended ID QM_Hamiltonian_ethanol_dft__CS_62kjyx2nr4q0_0
Description All ethanol dft configurations from the Quantum Machine Molecular Hamiltonians and Overlap Matrices set
Elements C (22.22%)
H (66.67%)
O (11.11%)
Number of Configurations 30,000
Number of Atoms 270,000
Configurations