Search results for: HYDROGEN MOLECULE

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- 2020
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- Gdańsk University of Technology
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research Data
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- T. Kilich
This dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...

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Search results for: HYDROGEN MOLECULE

Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets