✦ LIBER ✦

A systematic study of basis set, electron correlation, and geometry effects on the electric multipole moments, polarizability, and hyperpolarizability of HCl

✍ Scribed by Maroulis, George

Book ID: 111671873
Publisher: American Institute of Physics
Year: 1998
Tongue: English
Weight: 518 KB
Volume: 108
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.475932

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Basis set and electron correlation effec

Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

✍ Champagne, Benoı^t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 376 KB

Is the Hyperpolarizability of Cu2 Negati

Is the Hyperpolarizability of Cu2 Negative? A Study of Basis Set and Electron Correlation Effects.

✍ George Maroulis 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 49 KB

A study of basis set and electron correl

A study of basis set and electron correlation effects in the ab initio calculation of the electric dipole hyperpolarizability of ethene (H2C=CH2)

✍ Maroulis, George 📂 Article 📅 1992 🏛 American Institute of Physics 🌐 English ⚖ 838 KB

Ab initio study on the stability and pro

Ab initio study on the stability and properties of XYCO⋅ ⋅ ⋅HZ complexes. III. A comparative study of basis set and electron correlation effects for H2CO⋅ ⋅ ⋅HCl

✍ Nowek, Andrzej; Leszczyński, Jerzy 📂 Article 📅 1996 🏛 American Institute of Physics 🌐 English ⚖ 410 KB

Importance of electron correlation effec

Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties in hydrogen-bonded complexes: a model study

✍ Angelika Baranowska; Berta Fernández; Andrzej J. Sadlej 📂 Article 📅 2010 🏛 Springer 🌐 English ⚖ 232 KB

A structural ab initio study of the T1 t

A structural ab initio study of the T1 triplet state of acetaldehyde. The effects of electron correlation and additional functions in the basis set

✍ Camelia Muñoz-Caro; Alfonso Niñoa; David C. Moule 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 734 KB