Nonadiabatic ab initio molecular dynamics using linear-response time-dependent density functional theory

• Curchod Basile,
• Penfold Thomas,
• Rothlisberger Ursula,
• Tavernelli Ivano

Affiliations

Curchod Basile

Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland

Penfold Thomas

Rothlisberger Ursula

Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland

Tavernelli Ivano

Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland