M. Gupta

collaborators

2 papers

cond-mat.mtrl-sci2004

Stability and electronic structure of the complex K $_{2}$ PtCl $_{6}$ structure-type hydrides

S. V. Halilov, D. J. Singh, M. Gupta +1

The stability and bonding of the ternary complex K $_{2}$ PtCl $_{6}$ structure hydrides is discussed using first principles density functional calculations. The cohesion is dominated by…

cond-mat2003

Weighted Density Approximation Description of Insulating YH $_{3}$ and LaH $_{3}$

Zhigang Wu, R. E. Cohen, D. J. Singh +2

Density functional calculations within the weighted density approximation (WDA) are presented for YH $_{3}$ and LaH $_{3}$ . We investigate some commonly used pair-distribution functions…

Stability and electronic structure of the complex K2​PtCl6​ structure-type hydrides

Weighted Density Approximation Description of Insulating YH3​ and LaH3​

Stability and electronic structure of the complex K $_{2}$ PtCl $_{6}$ structure-type hydrides

Weighted Density Approximation Description of Insulating YH $_{3}$ and LaH $_{3}$