Showing 1–16 of 16 results
/ Date/ Name
Feb 5, 2019Long-range dispersion forces between molecules subject to ultra-short optical pulses from ab initio calculationsSep 23, 2013Optical and magnetic excitations of metal-encapsulating Si cages: A systematic study by time-dependent density functional theoryJan 22, 2015Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systemsOct 13, 2007On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructuresNov 9, 2012A survey of the parallel performance and the accuracy of Poisson solvers for electronic structure calculationsSep 22, 2010Density-based mixing parameter for hybrid functionalsMar 8, 2012Libxc: a library of exchange and correlation functionals for density functional theorySep 18, 2013Accuracy of generalized gradient approximation functionals for density functional perturbation theory calculationsFeb 27, 2013Band widths and gaps from the Tran-Blaha functional : Comparison with many-body perturbation theoryDec 12, 2018Real-time solutions of coupled Ehrenfest-Maxwell-Pauli-Kohn-Sham equations: fundamentals, implementation, and nano-optical applicationsNov 24, 2017Self-consistent DFT+U method for real-space time-dependent density functional theory calculationsMay 11, 2020The CECAM Electronic Structure Library and the modular software development paradigmFeb 19, 2021First-principles characterisation of spectroscopic and bonding properties of cationic bismuth carbide clustersDec 17, 2019Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systemsOct 29, 2010Toward an all-round semi-local potential for the electronic exchangeDec 13, 2017Finite-Size Effects in the Absorption Spectra of a Single-Wall Carbon Nanotube