Refined ab initio intermolecular ground-state potential energy surface for the He-C 2H 2 van der Waals complex

Molecular Physics

Volumn 111, Issue 9-11, 2013, Pages 1173-1177

  Fernández, Berta ^a   Henriksen, Christian ^b   Farrelly, David ^c  

^a s n   (Spain)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^c UTAH STATE UNIVERSITY   (United States)

Author keywords

He C 2H 2 van der Waals complex; intermolecular potential; rovibrational energies

Indexed keywords

BOUND-STATE ENERGIES; DYNAMICAL CALCULATIONS; INTERMOLECULAR POTENTIAL ENERGY SURFACES; INTERMOLECULAR POTENTIALS; LINEAR CONFIGURATION; LOW-LYING EXCITED STATE; RO-VIBRATIONAL ENERGIES; VAN DER WAALS COMPLEX; AB INITIO;

CALCULATIONS; POTENTIAL ENERGY SURFACES; VAN DER WAALS FORCES;

QUANTUM CHEMISTRY;

EID: 84882452569     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.793837     Document Type: Article

References (23)

1. Molecular Physics Special Issue: FASE (Femto-, Astro-, Spectro-Ethyne). 2012. Mol. Phys., 110 (21-22)
2. Niemann, H. B., Atreya, S. K., Demick, J. E., Gautier, D., Haberman, J. A., Harpold, D. N., Kasprzak, W. T., Lunine, J. I., Owen, T. C., and, Raulin, F. 2010. J. Geophys. Res. Planets, 115: E12006
3. Didriche, K., Lauzin, C., and, Földes, T. 2012. Chem. Phys. Lett., 530: 31
4. Thibault, F. 2005. J. Mol. Spect., 234: 286
5. Rezaei, M., Moazzen-Ahmadi, N., ández, B. Fern, and, Farrelly, D. 2012. Mol. Phys., 110: 2743
6. Slee, T., Roy, R. J.L., and, Chuaqui, C. E. 1992. Mol. Phys., 77: 111
7. Moszynski, R., Wormer, P. E.S., and, van der Avoird, A. 1995. J. Chem. Phys., 102: 8385
8. Nauta, K., and, Miller, R. E. 2001. J. Chem. Phys., 115: 8384
9. Munteanu, C. R., and, Fernández, B. 2005. J. Chem. Phys., 123: 014309
10. Raghavachari, K., Trucks, G. W., Pople, J. A., and, Head-Gordon, M. 1989. Chem. Phys. Lett., 157: 479
11. Woon, D. E., and, Dunning, T. H. 1994. J. Chem. Phys., 100: 2975
12. Dunning, T. H. 1989. J. Chem. Phys., 90: 1007
13. Kendall, R. A., Dunning, T. H., and, Harrison, R. J. 1992. J. Chem. Phys., 96: 6796
14. Tao, F., and, Pan, Y. 1994. Mol. Phys., 81: 507
15. Tao, F. 1993. J. Chem. Phys., 98: 3049
16. Dalton. 2005. a molecular electronic structure program, Release 2.0. see < http://www.daltonprogram.org/>
17. Bukowski, R., Sadlej, J., Jeziorski, B., Jankowski, P., Szalewicz, K., Kucharski, S. A., Williams, H. L., and, Rice, B. M. 1999. J. Chem. Phys., 110: 3785
18. Schlemmer, S. 1992. Ph. D. thesis. MPI Strömungsforschung
19. Jeziorski, B., Moszynski, R., and, Szalewicz, K. 1994. Chem. Rev., 94: 1887
20. Hutson, J. M. 1993. BOUND, Version 5: A Program for Calculating Bound-State Energies for Weakly Bound Molecular Complexes, Distributed via Collaborative Computing Project No. 6, of the Science and Engineering Research Council, on Molecular Quantum Dynamics, UK
21. Light, J. C., and, Carrington, T. 2007. Adv. Chem. Phys., 114: 263
22. Wang, X.-G., Carrington, T., and, McKellar, A. R.W. 2009. J. Phys. Chem. A, 113: 13331
23. Ramilowski, J., and, Farrelly, D. 2012. Phys. Chem. Chem. Phys., 14: 8123