✦ LIBER ✦

Analytic Density Functional Theory Calculations of Pure Vibrational Hyperpolarizabilities: The First Dipole Hyperpolarizability of Retinal and Related Molecules

✍ Scribed by Gao, Bin; Ringholm, Magnus; Bast, Radovan; Ruud, Kenneth; Thorvaldsen, Andreas J.; Jaszuński, Michał

Book ID: 126246560
Publisher: American Chemical Society
Year: 2014
Tongue: English
Weight: 368 KB
Volume: 118
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp408103y

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Analytic Density Functional Theory Calcu

Analytic Density Functional Theory Calculations of Pure Vibrational Hyperpolarizabilities: The First Dipole Hyperpolarizability of Retinal and Related Molecules

✍ Gao, Bin; Ringholm, Magnus; Bast, Radovan; Ruud, Kenneth; Thorvaldsen, Andreas J 📂 Article 📅 2014 🏛 American Chemical Society 🌐 English ⚖ 368 KB

Correction to “Analytic Density-Function

Correction to “Analytic Density-Functional Theory Calculations of Pure Vibrational Hyperpolarizabilities: The First Dipole Hyperpolarizability of Retinal and Related Molecules”

✍ Gao, Bin; Ringholm, Magnus; Bast, Radovan; Ruud, Kenneth; Thorvaldsen, Andreas J 📂 Article 📅 2014 🏛 American Chemical Society 🌐 English ⚖ 134 KB

Density functional theory calculations o

Density functional theory calculations of dynamic first hyperpolarizabilities for organic molecules in organic solvent: Comparison to experiment

✍ Lu, Shih-I; Chiu, Cheng-Chang; Wang, Ying-Fung 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 275 KB

Quadratic response theory of frequency-d

Quadratic response theory of frequency-dependent first hyperpolarizability. Calculations in the dipole length and mixed-velocity formalisms

✍ Parkinson, William A.; Oddershede, Jens 📂 Article 📅 1991 🏛 American Institute of Physics 🌐 English ⚖ 855 KB

Ab initio studies of the dipole polariza

Ab initio studies of the dipole polarizabilities of conjugated molecules Part 4. The dipole polarizability and first hyperpolarizability of o-benzyne and related molecules

✍ Alan Hinchliffe; Humberto J. Soscún Machado 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 562 KB

A fourth-order many-body perturbation th

A fourth-order many-body perturbation theory calculation of the first and second electric dipole hyperpolarizability of ammonia

✍ George Maroulis 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 517 KB

The electric dipole moment (p,), dipole polarizability (CQ) and first (Balk) and second (v,,& dipole hyperpolarizability of ammonia were obtained from finite-field self-consistent-field (SCF) and complete fourth-order many-body perturbation theory (MP4) calculations. With z as the C, axis, the follo