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 mechanics 、 Molecule 、 Configuration interaction 、 Excited state 、 Electron 、 Quantum electrodynamics 、 Electron scattering 、 Schwinger variational principle 、 Physics 、 Polarization (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.