Ab Initio Theory of Gate Induced Gaps in Graphene Bilayers
Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like
Ab initio Wannier-function-based correlated calculations of Born effective charges of crystalline Li$_{2}$O and LiCl
Ab initio Wannier-function-based many-body approach to Born charge of crystalline insulators
Ab initio wavefunction based methods for excited states in solids: correlation corrections to the band structure of ionic oxides
Ab initio zone-center phonons in LiTaO3: comparison to LiNbO3
ab inito local vibrational modes of light impurities in silicon
Ab intio calculation of the Transmission Coefficients from a Superlattice electronic structure
Ab-initio calculation method for charged slab systems using field-induced gaussian sheet
Ab-initio calculation of effective exchange interactions, spin waves, and Curie temperature in L2_1- and L1_2-type local moment ferromagnets
Ab-initio calculation of electronic stopping power along glancing swift heavy ion tracks in perovskites
Ab-initio calculation of Kerr spectra for semi-infinite systems including multiple reflections and optical interferences
Ab-initio calculation of optical absorption in semiconductors: A density-matrix description
Ab-initio calculation of phonon dispersion curves: accelerating q point convergence
Ab-initio calculation of the effect of stress on the chemical activity of graphene
Ab-initio calculation of the electronic and optical excitations in polythiophene: effects of intra- and interchain screening
Ab-initio calculation of the Gilbert damping parameter via linear response formalism
Ab-initio calculation of the vibrational modes of SiH4, H2SiO, Si10H16, and Si10H14O
Ab-initio calculations for the beta-tin diamond transition in Silicon: comparing theories with experiments
Ab-Initio calculations of binding energy of In and Ga adatoms on three GaAs(111)A surface reconstructions