Comment on inaccuracy of density functional theory calculations for dihydrogen binding energetics onto Ca cation centers

Physical Review Letters

Volumn 104, Issue 17, 2010, Pages

  Ohk, Youhwa ^a   Kim, Yong Hyun ^a   Jung, Yousung ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77952260623     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.104.179601     Document Type: Article

References (5)

1. J. Cha, S. Lim, C.H. Choi, M.-H. Cha, and N. Park, Phys. Rev. Lett. 103, 216102 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.216102
2. K.A. Christensen and F. Jensen, Chem. Phys. Lett. 317, 400 (2000). CHPLBC 0009-2614 10.1016/S0009-2614(99)01419-0
3. T. Helgaker, W. Klopper, W. Koch, and J. Noga, J. Chem. Phys. 106, 9639 (1997). JCPSA6 0021-9606 10.1063/1.473863
4. Y.Y. Sun, K. Lee, Y.-H. Kim, and S.B. Zhang, Appl. Phys. Lett. APPLAB 0003-6951 95, 033109 (2009). 10.1063/1.3182796
5. Y. Shao, L.F. Molnar, and Y. Jung, Phys. Chem. Chem. Phys. 8, 3172 (2006). PPCPFQ 1463-9076 10.1039/b517914a