24 citations · 51 across the 4 of their papers we have counts for
4 papers
An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel Xeon Phi processor
Vladimir Mironov, Yuri Alexeev, Kristopher Keipert +3
Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that diff…
Nodal Variational Principle for Excited States
Federico Zahariev, Mark S. Gordon, Mel Levy
It is proven that the exact excited-state wave function and energy may be obtained by minimizing the energy expectation value of trial wave functions that are constrained only to h…
New symmetric families of silicon quantum dots and their conglomerates as a tunable source of photoluminescence in nanodevices
Pavel V. Avramov, Dmitri G. Fedorov, Pavel B. Sorokin +2
We propose a new variety of silicon quantum dots containing fullerene-derived hollows of nearly arbitrary symmetry. Conglomerate structures are designed by connecting the quantum d…
Multiterminal Nanowire Junctions of Silicon: A Theoretical Prediction of Atomic Structure and Electronic Properties
Pavel V. Avramov, Leonid A. Chernozatonskii, Pavel B. Sorokin +1
Using empirical scheme, atomic structure of a new exotic class of silicon nanoclusters was elaborated upon the central icosahedral core (Si-IC) and pentagonal petals (Si-PP) growin…