We present a very efficient and accurate method to simulate scanning tunneling microscopy images and spectra from first-principles density functional calculations. The wave func...
We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic s...
An efficient method is described to handle mesh indexes in multidimensional\nproblems like numerical integration of partial differential equations, lattice\nmodel simulations, a...
h-index: Number of publications with at least h citations each.