Localized intrinsic bond orbitals decode correlated charge migration dynamics

Chemical Science 2026 Open access

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Authors: Imam S. Wahyutama, Madhumita Rano, Henrik R. Larsson
DOI: 10.1039/d6sc02580c
Cited by: 0
References: 139

Abstract

Localized bond orbitals offer a compact, chemically intuitive view of ultrafast, correlated charge migration and reveal its driving interactions. This is demonstrated for nine migration scenarios in five molecules using advanced TDDMRG simulations.

Fields of Study & Subjects

Advanced Chemical Physics Studies Spectroscopy and Quantum Chemical Studies Photochemistry and Electron Transfer Studies

Publication details

Journal / source
Chemical Science
Publication date
1 January 2026
Language
EN