***Postdoc Position available*** A new NSF-funded position is available for a post-doctoral scholar. The project is titled Bridging electronic structure theory and dynamics with applications to nonadiabatic processes. Wo

Source URL: chem.mst.edu

• Chemistry
• Theoretical chemistry
• Quantum chemistry
• Multi-configuration time-dependent Hartree
• Spectroscopy

Physical & Theoretical Chemistry Graduate Open Day Wednesday 25th November00pm) The day will include; − introductory talks including graduate opportunities − summary of the Oxford application procedure

Source URL: postgraduate.chem.ox.ac.uk

1 Documenta Math. Stability of the Relativistic Electron-Positron Field of Atoms in Hartree-Fock Approximation:

Source URL: documenta.sagemath.org

• Chemistry
• Physics
• Computational chemistry
• HartreeFock method
• Quantum chemistry
• Theoretical chemistry
• Dirac equation

Workshop: Particle on a ring Quantum aspects of physical chemistry http://quantum.bu.edu/courses/PLTL/5/5.pdf Last updated Tuesday, November 15, :13:06-05:00 Copyright © 2005 Dan Dill () Department of C

Source URL: quantum.bu.edu

• Physics
• Physical quantities
• Theoretical physics
• Nature
• Operator
• Operator theory
• Wave function
• Angular momentum
• Kinetic energy

Theoretical Description of ARPES: The One-Step Model

Source URL: www.cond-mat.de

• Physics
• Chemistry
• Condensed matter physics
• Quantum mechanics
• Materials science
• Emission spectroscopy
• Photovoltaics
• Dynamical mean-field theory
• Multiple scattering theory
• Angle-resolved photoemission spectroscopy
• Electronic band structure
• X-ray photoelectron spectroscopy

CH+5: The neverending story or the final word? Peter R. Schreiner, SeungJoon Kim, Henry F. Schaefer, and Paul von Ragué Schleyer Citation: J. Chem. Phys. 99, ); doi: View online: http://dx.doi

Source URL: wwwuser.gwdg.de

• Chemistry
• Post-HartreeFock methods
• Computational chemistry
• Theoretical chemistry
• Coupled cluster
• Quadratic configuration interaction
• Ab initio quantum chemistry methods
• Davidson correction
• Configuration interaction
• Molecular vibration

Subscriber access provided by UNIV MIKOLAJA KOPERNIKA Article Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics

Source URL: ftp.theochem.ruhr-uni-bochum.de

• Chemistry
• Theoretical chemistry
• Computational chemistry
• Ab initio quantum chemistry methods
• Molecular dynamics
• Path integral molecular dynamics
• Spartan
• PQS

22.6. Adaptively biased MD, steered MD, and umbrella sampling with REMDAnalyzing multi-dimensional replica exchange simulations The REMD log file for each dimension is further divided into the log messages for

Source URL: ambermd.org

• Computational chemistry
• Molecular dynamics
• Theoretical chemistry
• Local Elevation
• Metadynamics
• Xi
• Umbrella sampling
• Identical particles

THEORETICAL PROBLEM No. 3 WHY ARE STARS SO LARGE? The stars are spheres of hot gas. Most of them shine because they are fusing hydrogen into helium in their central parts. In this problem we use concepts of both classica

Source URL: www.ipho.org

• Nuclear chemistry
• Nuclear physics
• Chemical elements
• Condensed matter physics
• Proton
• Helium
• Solar mass
• Star
• Nuclear fusion
• Electron
• Atomic nucleus
• Hydrogen

Computational Science and Engineering (Int. Master’s Program) Technische Universität München Master’s Thesis

Source URL: www5.in.tum.de

• Computational chemistry
• Molecular modelling
• Intermolecular forces
• Computational physics
• Theoretical chemistry
• Molecular dynamics
• Ewald summation
• Particle Mesh
• Van der Waals force
• Molecular mechanics