✦ LIBER ✦

Real-space calculations of atomic and molecular polarizabilities using asymptotically correct exchange-correlation potentials

✍ Scribed by Vasiliev, Igor; Chelikowsky, James

Book ID: 111645711
Publisher: The American Physical Society
Year: 2010
Tongue: English
Weight: 160 KB
Volume: 82
Category: Article
ISSN: 1050-2947
DOI: 10.1103/PhysRevA.82.012502

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular calculations of excitation ene

Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials

✍ Schipper, P. R. T.; Gritsenko, O. V.; van Gisbergen, S. J. A.; Baerends, E. J. 📂 Article 📅 2000 🏛 American Institute of Physics 🌐 English ⚖ 350 KB

Asymptotic correction approach to improv

Asymptotic correction approach to improving approximate exchange–correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra

✍ Casida, Mark E.; Salahub, Dennis R. 📂 Article 📅 2000 🏛 American Institute of Physics 🌐 English ⚖ 431 KB

Improved density functional theory resul

Improved density functional theory results for frequency-dependent polarizabilities, by the use of an exchange-correlation potential with correct asymptotic behavior

✍ van Gisbergen, S. J. A.; Osinga, V. P.; Gritsenko, O. V.; van Leeuwen, R.; Snijd 📂 Article 📅 1996 🏛 American Institute of Physics 🌐 English ⚖ 149 KB

Finite-field calculations of molecular p

Finite-field calculations of molecular polarizabilities using field-induced polarization functions. II. Second- and third-order perturbation correlation corrections to the coupled Hartree–Fock polarizability of HF

✍ Prasanta K. Mukherjee; Tsutomu Minato; Delano P. Chong 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 559 KB

## Abstract Correlation corrections to coupled Hartree–Fock (CHF) static dipole polarizabilities and dipole moment of the HF molecule are calculated using third‐order Rayleigh–Schrödinger perturbation theory with Møller–Plesset partitioning (RSMP) in a finite‐field procedure. Computations are also