Gauge-Invariant Formulation of Time-Dependent Configuration Interaction Singles Method

We propose a gauge-invariant formulation of the channel orbital-based time-dependent configuration interaction singles (TDCIS) method [Phys. Rev. A, 74, 043420 (2006)], one of the powerful ab initio methods to investigate electron dynamics in atoms and molecules subject to an external laser field. I...

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Bibliographic Details
Main Authors: Takeshi Sato, Takuma Teramura, Kenichi L. Ishikawa
Format: Article
Language:English
Published: MDPI AG 2018-03-01
Series:Applied Sciences
Subjects:
Online Access:http://www.mdpi.com/2076-3417/8/3/433