%0 Journal Article %1 Xie2014137 %A Xie, Jianing Colin %A Mishra, Sudhanshu K. %A Kar, Tapas %A Xie, Rui-Hua %D 2014 %J Chemical Physics Letters %K chemistry energy fit function potential quantum unread %N 0 %P 137 - 146 %R http://dx.doi.org/10.1016/j.cplett.2014.05.021 %T Generalized interatomic pair-potential function %U http://www.sciencedirect.com/science/article/pii/S000926141400387X %V 605–606 %X Based on a three-parameter molecular orbital-type pair-potential function, we have proposed a generalized interatomic pair-potential function. This new function has been demonstrated to be able to describe accurately and adequately the potentials of the metastable diatomic dications (e.g., View the MathML sourceHe2++, BeH++, AlH++), and the ground states of covalent bonding systems (e.g., H2, Si2, HCl, NO, LiH, HeH+, and View the MathML sourceHe2+), ionic bonding systems (e.g., NaCl), and van der Waals weakly binding systems (e.g., rare-gas, alkaline-earth, group 12, rare-gas metal dimers, and rare-gas halides).

@article{Xie2014137, abstract = {Based on a three-parameter molecular orbital-type pair-potential function, we have proposed a generalized interatomic pair-potential function. This new function has been demonstrated to be able to describe accurately and adequately the potentials of the metastable diatomic dications (e.g., View the MathML sourceHe2++, BeH++, AlH++), and the ground states of covalent bonding systems (e.g., H2, Si2, HCl, NO, LiH, HeH+, and View the MathML sourceHe2+), ionic bonding systems (e.g., NaCl), and van der Waals weakly binding systems (e.g., rare-gas, alkaline-earth, group 12, rare-gas metal dimers, and rare-gas halides).}, added-at = {2014-07-04T20:34:48.000+0200}, author = {Xie, Jianing Colin and Mishra, Sudhanshu K. and Kar, Tapas and Xie, Rui-Hua}, biburl = {https://www.bibsonomy.org/bibtex/222ba0205ee8e0b99e541a6425d3cda19/drmatusek}, doi = {http://dx.doi.org/10.1016/j.cplett.2014.05.021}, interhash = {4f9ab92931f27757e220fac64bd7d855}, intrahash = {22ba0205ee8e0b99e541a6425d3cda19}, issn = {0009-2614}, journal = {Chemical Physics Letters }, keywords = {chemistry energy fit function potential quantum unread}, month = jun, number = 0, pages = {137 - 146}, timestamp = {2014-07-04T20:34:48.000+0200}, title = {Generalized interatomic pair-potential function }, url = {http://www.sciencedirect.com/science/article/pii/S000926141400387X}, volume = {605–606}, year = 2014 }