Accurate one-dimensional potential energy curve of the linear (H 2)2 cluster

Journal of Chemical Physics

Volumn 133, Issue 12, 2010, Pages

  Tung, Wei Cheng ^a   Pavanello, Michele ^a   Adamowicz, Ludwik ^a  

^a University of Arizona   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL GRADIENTS; AVERAGE VALUES; BASIS SETS; GAUSSIAN FUNCTIONS; GAUSSIANS; INTERNUCLEAR DISTANCES; LINEAR CONFIGURATION; NON-LINEAR PARAMETERS; ONE-DIMENSIONAL POTENTIAL; VARIATIONAL OPTIMIZATION; VIBRATIONAL GROUND;

GROUND STATE;

POTENTIAL ENERGY;

EID: 77957729936     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3491029     Document Type: Article

References (22)

1. V. Vesovic, Chem. Phys. CMPHC2 0301-0104 345, 41 (2008). 10.1016/j.chemphys.2008.01.033
2. H. Behnejad and A. Pedram, Chem. Phys. CMPHC2 0301-0104 325, 351 (2006). 10.1016/j.chemphys.2005.12.026
3. L. M. Trafton and J. K. G. Watson, Astrophys. J. ASJOAB 0004-637X 385, 320 (1992). 10.1086/170941
4. P. G. Burton and U. E. Senff, J. Chem. Phys. JCPSA6 0021-9606 76, 6073 (1982). 10.1063/1.442963
5. G. Danby and D. R. Flower, J. Phys. B JPAMA4 0022-3700 16, 3411 (1983). 10.1088/0022-3700/16/18/012
6. A. Aguado, C. Suárez, and M. Paniagua, J. Chem. Phys. JCPSA6 0021-9606 101, 4004 (1994). 10.1063/1.467518
7. R. J. Hinde, J. Chem. Phys. JCPSA6 0021-9606 128, 154308 (2008). 10.1063/1.2826340 (Pubitemid 351574629)
8. K. Patkowski, W. Cencek, P. Jankowski, K. Szalewicz, J. B. Mehl, G. Garberoglio, and A. H. Harvey, J. Chem. Phys. JCPSA6 0021-9606 129, 094304 (2008). 10.1063/1.2975220
9. S. F. Boys and F. Bernardi, Mol. Phys. MOPHAM 0026-8976 19, 553 (1970). 10.1080/00268977000101561
10. W. Cencek and J. Rychlewski, J. Chem. Phys. JCPSA6 0021-9606 102, 2533 (1995). 10.1063/1.468682
11. M. Pavanello and L. Adamowicz, J. Chem. Phys. JCPSA6 0021-9606 130, 034104 (2009). 10.1063/1.3058634
12. M. Pavanello, W. C. Tung, F. Leonarski, and L. Adamowicz, J. Chem. Phys. JCPSA6 0021-9606 130, 074105 (2009). 10.1063/1.3077193
13. R. A. Bachorz, W. Cencek, R. Jaquet, and J. Komasa, J. Chem. Phys. JCPSA6 0021-9606 131, 024105 (2009). 10.1063/1.3167795
14. J. Komasa, J. Chem. Phys. JCPSA6 0021-9606 110, 7909 (1999). 10.1063/1.478696
15. M. Pavanello, M. Cafiero, S. Bubin, and L. Adamowicz, Int. J. Quantum Chem. IJQCB2 0020-7608 108, 2291 (2008). 10.1002/qua.21757
16. M. Pavanello, W. C. Tung, and L. Adamowicz, J. Chem. Phys. JCPSA6 0021-9606 131, 184106 (2009). 10.1063/1.3257592
17. S. Bubin, M. Cafiero, and L. Adamowicz, Adv. Chem. Phys. ADCPAA 0065-2385 131, 377 (2005). 10.1002/0471739464.ch6
18. W. Cencek and K. Szalewicz, Int. J. Quantum Chem. IJQCB2 0020-7608 108, 2191 (2008). 10.1002/qua.21740
19. W. Cencek and W. Kutzelnigg, Chem. Phys. Lett. CHPLBC 0009-2614 266, 383 (1997). 10.1016/S0009-2614(97)00017-1
20. H. Nakatsuji, Phys. Rev. Lett. PRLTAO 0031-9007 93, 030403 (2004). 10.1103/PhysRevLett.93.030403
21. N. C. Handy, Y. Yamaguchi, and H. F. Schaefer III, J. Chem. Phys. JCPSA6 0021-9606 84, 4481 (1986). 10.1063/1.450020
22. L. Wolniewicz, J. Chem. Phys. JCPSA6 0021-9606 99, 1851 (1993). 10.1063/1.465303