Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

R. van Meer; O.V. Gritsenko; E.J. Baerends

doi:10.1063/1.4852195

Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

R. van Meer
, O.V. Gritsenko
, E.J. Baerends

AIMMS

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Time dependent density matrix functional theory in its adiabatic linear response formulation delivers exact excitation energies ω

Original language	English
Pages (from-to)	24101
Journal	Journal of Chemical Physics
Issue number	140
DOIs	https://doi.org/10.1063/1.4852195
Publication status	Published - 2014

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This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

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10.1063/1.4852195

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JF - Journal of Chemical Physics

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Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

Abstract

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