ON THE CALCULATION OF THE OPTICAL AND REACTIVE PROPERTIES OF THE POLYCYCLIC AROMATIC HYDROCARBONS (PAHS), BY USING THE FROZEN SPIN MOLECULAR ORBITAL (SMO) HARTREE-FOCK (HF) APPROACH

DOI10.1142/S0217979210055494zbMath1213.82001MaRDI QIDQ3002088

J. R. Alvarez-Collado

Publication date: 19 May 2011

Published in: International Journal of Modern Physics B (Search for Journal in Brave)

zbMATH Keywords

opticalHartree-FockreactivityPAHhigh-spin

Mathematics Subject Classification ID

Quantum optics (81V80) Atomic physics (81V45) Molecular physics (81V55)

Cites Work

• Self-Consistent Field Theory for Open Shells of Electronic Systems

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