An ab initio-based Er–He interatomic potential in hcp Er

Author： Yang L   Ye Y T   Fan K M   Shen H H   Peng S M   Long X G   Zhou X S   Zu X T   Gao F  

Publisher： IOP Publishing

ISSN： 0965-0393

Source： Modelling and Simulation in Materials Science and Engineering, Vol.22, Iss.6, 2014-09, pp. : 65009-65021

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Related content

The He-He 1 Σ g + potential : coupling between inter-atomic and intra-atomic correlation in the ab initio coupled-pair many-electron theory calculation

By Salahub D.R.  

Molecular Physics, Vol. 28, Iss. 1, 1974-07 ,pp. : 243-248

Taylor & Francis Ltd

Access to resources Recommend Favorite

Intermolecular potential for acetonitrile based on ab initio calculations

By Cabaleiro-Lago Enrique M.   Rios Miguel A.  

Molecular Physics, Vol. 96, Iss. 3, 1999-02 ,pp. : 309-321

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio potential energy curve for the neon atom pair and thermophysical properties of the dilute neon gas. I. Neon-neon interatomic potential and rovibrational spectra

By Hellmann Robert   Bich Eckard   Vogel Eckhard  

Molecular Physics, Vol. 106, Iss. 1, 2008-01 ,pp. : 133-140

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio potential energy curve for the helium atom pair and thermophysical properties of dilute helium gas. I. Helium-helium interatomic potential

By Hellmann Robert   Bich Eckard   Vogel Eckhard  

Molecular Physics, Vol. 105, Iss. 23-24, 2007-12 ,pp. : 3013-3023

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab-initio valence bond calculations on the He-He potential curve using small bases

By Wormer Paul   Berkel Ton   Avoird Ad  

Molecular Physics, Vol. 29, Iss. 4, 1975-04 ,pp. : 1181-1188

Taylor & Francis Ltd

Access to resources Recommend Favorite