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Lippert, Gerald, Hutter, Jurg, Parrinello, Michele , journal = · 1997 · Molecular Physics · DOI 10.1080/00268979709482119

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Wavefunction-based periodic quantum chemistry

physics.chem-ph · 2026-07-30 · accept · novelty 2.0

A comprehensive tutorial derives and organizes the standard machinery of periodic wavefunction quantum chemistry from Ewald Hamiltonians through HF, MP2, CC, finite-size corrections, and local/embedding methods.

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  • Wavefunction-based periodic quantum chemistry physics.chem-ph · 2026-07-30 · accept · none · ref 20

    A comprehensive tutorial derives and organizes the standard machinery of periodic wavefunction quantum chemistry from Ewald Hamiltonians through HF, MP2, CC, finite-size corrections, and local/embedding methods.