𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Optimized effective potentials yielding Hartree–Fock energies and densities

✍ Scribed by Staroverov, Viktor N.; Scuseria, Gustavo E.; Davidson, Ernest R.

Book ID
120180458
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
375 KB
Volume
124
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density functional and post Hartree-Fock
Density functional and post Hartree-Fock equilibrium geometries, potential energy surface and vibrational frequencies for methylamine
✍ Gábor I. Csonka; Lajos Sztraka 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 532 KB

The equilibrium structure, the potential energy surface and the infrared harmonic frequencies are determined by using two generalized gradient approximation density functional methods for methylamine. The results are compared to those of a second-order Moller-Plesset and coupled cluster calculations