𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Hartree–Fock calculation for excited states

✍ Scribed by M. Tassi; Iris Theophilou; S. Thanos


Book ID
112185647
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
120 KB
Volume
113
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Half-projected Hartree–Fock calculations
✍ Prasanta K. Mukherjee; M. Luisa Senent; Yves G. Smeyers 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 158 KB 👁 1 views

Quantum chemical calculations have been performed in half-projected Ž . Hartree᎐Fock HPHF and CIS approaches for estimating the energy levels of the lowest two excited states of hydrogen peroxide. Geometry optimization was performed for the respective states at the equilibrium configuration with an