𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio potential energy surfaces of Ar–H2O and Ar–D2O

✍ Scribed by Bulski, M.; Wormer, P. E. S.; van der Avoird, A.


Book ID
120601676
Publisher
American Institute of Physics
Year
1991
Tongue
English
Weight
917 KB
Volume
94
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Rovibrational spectra of ArH2 and ArD2
✍ R. Moszynski; B. Jeziorski; P.E.S. Wormer; A. van der Avoird 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 544 KB

The nuclear motion problem of the van der Waals molecules Ar-Hz and Ar-Ds is solved variationally in a basis of coupled spherical harmonics and Morse-type oscillator functions. Near-and far-infrared spectra are computed ab initio from a symmetryadapted perturbation theory potential calculated earlie

An accurate ab initio potential energy s
✍ Fu-Ming Tao; Zhiru Li; Yuh-Kang Pan 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 542 KB

We present an accurate calculation of the intermolecular potential surface for the van der Waals complex He-H20 using complete fourth-order M¢ller-Plesset perturbation theory (MP4) with an efficient basis set containing bond functions. The calculation gives a global minimum at R = 3.15 /~, 0 = 105 °