Recent advances in the application of the Schwinger multichannel method with pseudopotentials to electron-molecule collisions

作者: Romarly F da Costa , Márcio T do N Varella , Márcio HF Bettega , Marco AP Lima , None

DOI: 10.1140/EPJD/E2015-60192-6

关键词: Quantum mechanicsMoleculeConfiguration interactionExcited stateElectronQuantum electrodynamicsElectron scatteringSchwinger variational principlePhysicsPolarization (waves)Scattering amplitude

摘要: The Schwinger multichannel method [K. Takatsuka and V. McKoy, Phys. Rev. A 30, 1734 (1984)], which is based on the variational principle for scattering amplitude [J. Schwinger, 72, 742 (1947)], was designed to account exchange, polarization electronically coupling effects in low-energy region of electron from molecules with arbitrary geometry. applications became more ambitious availability computer power combined parallel processing, use norm-conserving pseudopotentials improvement description target excited states (minimal orbital basis single configuration interaction). most recent involving 33 45 open channels phenol ethylene molecules, represent good examples present status method. In this colloquium, we review strategy point out new directions apply its full extension.

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