We present a module to calculate the mobility and conductivity of semiconducting materials using Rode’s algorithm. This uses variety electronic structure inputs derived from Density Functional Theory (DFT). have demonstrated good agreement with experimental results for case Cadmium Sulfide (CdS). also provide comparison widely used method, so-called relaxation time approximation (RTA) favorable...

We consider the implications of the small Fermi surface for the ab-plane microwave absorption. The small Fermi surface results in two superconducting condensates. Linear combinations of these condensates correspond to the d-and g-wave pairings. Microwave electric field applied in the ab-plane induces Josephson transitions between the condensates. Dependence of the absorption upon direction, amp...

A polarizable water pair potential was determined by fitting a potential form to microwave, terahertz, and mid-infrared (D2O)2 spectra through a rigorous calculation of the water dimer eigenstates. It accurately reproduces most ground state vibration-rotation-tunneling spectra and yields excellent second viral coefficients. The calculated dimer structure and dipole moment are very close to thos...

The Leibler theory [L. Leibler, Macromolecules 13 1602 (1980)] for mi-crophase separation in AB block copolymer melts is generalized for systems with arbitrary topology of molecules. A diagrammatic technique for calculation of the monomeric correlation functions is developed. The free energies of various mesophases are calculated within the second-harmonic approximation. Model highly-branched t...