✦ LIBER ✦

Experimental Vibrational Zero-Point Energies: Diatomic Molecules

✍ Scribed by Irikura, Karl K.

Book ID: 119950266
Publisher: American Institute of Physics
Year: 2007
Tongue: English
Weight: 122 KB
Volume: 36
Category: Article
ISSN: 0047-2689
DOI: 10.1063/1.2436891

No coin nor oath required. For personal study only.

✦ Synopsis

Vibrational zero-point energies ͑ZPEs͒, as determined from published spectroscopic constants, are derived for 85 diatomic molecules. Standard uncertainties are also provided, including estimated contributions from bias as well as the statistical uncertainties propagated from those reported in the spectroscopy literature. This compilation will be helpful for validating theoretical procedures for predicting ZPEs, which is a necessary step in the ab initio prediction of molecular energetics.

📜 SIMILAR VOLUMES

Experimental Vibrational Zero-Point Ener

Experimental Vibrational Zero-Point Energies: Diatomic Molecules

✍ Irikura, Karl K. 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 122 KB

Erratum: Experimental Vibrational Zero-P

Erratum: Experimental Vibrational Zero-Point Energies: Diatomic Molecules [J. Phys. Chem. Ref. Data 36, 389-397 (2007)]

✍ Irikura, Karl K. 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 52 KB

Estimation, Computation, and Experimenta

Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies

✍ Csonka, Gábor I.; Ruzsinszky, Adrienn; Perdew, John P. 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 86 KB

Vibration-vibration energy transfer betw

Vibration-vibration energy transfer between diatomic molecules

✍ Hyung Kyu Shin 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 398 KB

ti general formula of the probability of vibrational transitions in diatomic molecules is formulated with specific consideration of vibration-vibration energy transfer for nonresonant cases. An application to HZ-H2 collisions shows an excellent agreement of the present formulation with exact quantum

Concerning zero-point vibrational energy

Concerning zero-point vibrational energy corrections to electronic energies

✍ Grev, Roger S.; Janssen, Curtis L.; Schaefer, Henry F. 📂 Article 📅 1991 🏛 American Institute of Physics 🌐 English ⚖ 620 KB

Studies on dissociation energies of diat

Studies on dissociation energies of diatomic molecules using vibrational spectroscopic constants

✍ Shilin Hou; Weiguo Sun 📂 Article 📅 2003 🏛 Science in China Press (SCP) 🌐 English ⚖ 759 KB