A one-electron variant of direct perturbation theory for the treatment of scalar-relativistic effects

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A one-electron variant of direct perturbation theory for the treatment of scalar-relativistic effects

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Physics 010304 chemical physics Scalar (mathematics)Biophysics Electron 010402 general chemistry Condensed Matter Physics 01 natural sciences 0104 chemical sciences Quantum electrodynamics 0103 physical sciences Physical and Theoretical Chemistry Perturbation theory Relativistic quantum chemistry Molecular Biology

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The different importance of scalar-relativistic two-electron contributions in second-order direct perturbation theory (DPT2) and the spin-free one-electron variant of exact two-component theory (SF...

year	journal	country	edition	language
2018-10-23	Molecular Physics

https://doi.org/10.1080/00268976.2018.1536812

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