42 citations · 66 across the 2 of their papers we have counts for
2 papers
cond-mat1995★ 42 cited
Ab initio molecular dynamics using density based energy functionals: application to ground state geometries of some small clusters
Dinesh Nehete, Vaishali Shah, D. G. Kanhere
The ground state geometries of some small clusters have been obtained via ab initio molecular dynamical simulations by employing density based energy functionals. The approximate k…
cond-mat1994★ 24 cited
Ab initio molecular dynamics via density based energy functionals
Vaishali Shah, Dinesh Nehete, D. G. Kanhere
The use of energy functionals based on density as the basic variable is advocated for ab initio molecular dynamics. It is demonstrated that the constraint of positivity of density…