Relativistic Hamiltonians for Chemistry : A Primer - Archive ouverte HAL
Journal Articles ChemPhysChem Year : 2011

Relativistic Hamiltonians for Chemistry : A Primer

Trond Saue
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Groupe THEO (LCPQ)

Abstract

Entering Dirac territory: This Minireview provides a guide to two- and four-component relativistic Hamiltonians for use in quantum chemistry with particular emphasis on the recently developed eXact two-component (X2C) Hamiltonian.

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Theoretical and/or physical chemistry
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https://hal.science/hal-00662643

Submitted on : Monday, July 20, 2020-2:00:03 PM

Last modification on : Wednesday, April 24, 2024-1:30:03 PM

Long-term archiving on : Tuesday, December 1, 2020-1:32:55 AM

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hal-00662643 , version 1 (20-07-2020)

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Trond Saue. Relativistic Hamiltonians for Chemistry : A Primer. ChemPhysChem, 2011, 12 (17), pp.3077-3094. ⟨10.1002/cphc.201100682⟩. ⟨hal-00662643⟩

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