94 citations · 762 across the 38 of their papers we have counts for
6 papers · 2 filters
Nanoscale Quantum Solvation of para-H around the Linear OCS Molecule inside He Droplets
Yongkyung Kwon, K. Birgitta Whaley
We present a microscopic analysis of the quantum solvation structures of para-H around the OCS molecule when embedded in low temperature He droplets. The structures of clus…
Quantum Rotation of HCN and DCN in Helium-4
R. E. Zillich, K. B. Whaley
We present calculations of rotational absorption spectra of the molecules HCN and DCN in superfluid helium-4, using a combination of the Diffusion Monte Carlo method for ground sta…
Magneto-optical response of CdSe nanostructures
Po-Chung Chen, K. Birgitta Whaley
We present theoretical calculations of the Landé g-factors of semiconductor nanostructures using a time-dependent empirical tight-binding method. The eigenenergies and eigenfunctio…
A Simple Model for Magnetization Ratios in Doped Nanocrystals
Joshua Schrier, K. Birgitta Whaley
Recent experiments on Mn-doped ZnS nanocrystals have shown unusual magnetization properties. We describe a nearest-neighbor Heisenberg exchange model for calculating the magnetizat…
Microscopic two-fluid theory of rotational constants of the OCS-H complex in He droplets
Yongkyung Kwon, K. Birgitta Whaley
We present a microscopic quantum analysis for rotational constants of the OCS-H complex in helium droplets using the local two-fluid theory in conjunction with path integral Mo…
Tight-binding g-Factor Calculations of CdSe Nanostructures
Joshua Schrier, K. Birgitta Whaley
The Lande g-factors for CdSe quantum dots and rods are investigated within the framework of the semiempirical tight-binding method. We describe methods for treating both the n-dope…