𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Accurate analytic He–H2 potential energy surface from a greatly expanded set of ab initio energies

✍ Scribed by Boothroyd, Arnold I.; Martin, Peter G.; Peterson, Michael R.


Book ID
121757472
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
639 KB
Volume
119
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


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 °