Open Access
Mathematical methods for physicists
George B. Arfken,Hans Weber +1 more
About:
The article was published on 1970-01-01 and is currently open access. It has received 4236 citations till now.read more
Citations
More filters
Journal ArticleDOI
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
Julia Contreras-García,Erin R. Johnson,Shahar Keinan,Robin Chaudret,Jean-Philip Piquemal,David N. Beratan,Weitao Yang +6 more
TL;DR: The NCI computational algorithms and their implementation for the analysis and visualization of weak interactions, using both self-consistent fully quantum-mechanical, as well as promolecular, densities are described.
Journal ArticleDOI
Photoacoustic imaging in biomedicine
Minghua Xu,Lihong V. Wang +1 more
TL;DR: An overview of the rapidly expanding field of photoacoustic imaging for biomedical applications can be found in this article, where a number of imaging techniques, including depth profiling in layered media, scanning tomography with focused ultrasonic transducers, image forming with an acoustic lens, and computed tomography using unfocused transducers are introduced.
Journal ArticleDOI
A multicenter numerical integration scheme for polyatomic molecules
TL;DR: In this article, a simple scheme for decomposition of molecular functions into single center components is proposed, which reduces the problem of three-dimensional integration in molecular systems to a sum of one-center, atomic-like integrations which are treated using standard numerical techniques in spherical polar coordinates.
Journal ArticleDOI
Ab Initio Molecular Simulations with Numeric Atom-Centered Orbitals
Volker Blum,Ralf Gehrke,Felix Hanke,Paula Havu,Ville Havu,Xinguo Ren,Karsten Reuter,Matthias Scheffler +7 more
TL;DR: The construction of transferable, hierarchical basis sets are demonstrated, allowing the calculation to range from qualitative tight-binding like accuracy to meV-level total energy convergence with the basis set, since all basis functions are strictly localized.
Journal ArticleDOI
A generalized reaction field method for molecular dynamics simulations
TL;DR: In this paper, an analytical solution of the linearized Poisson-Boltzmann (PB) equation valid in a spherical region is obtained, which can be used for evaluating the electrostatic potential and its derivative at the origin of the sphere.