Explicitly Correlated Wavefunctions
Editors: Edward A G Armour, Jan Franz, Jonathan Tennyson
Published by CCP6 (Collaborative Computational Project
on Molecular Quantum Dynamics)
on behalf of CCP2 (Collaborative Computational Project
on Continuum States of Atoms and Molecules).
Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, United Kingdom
Copyright CCP2 2006
Suggested Dewey classification: 539.7, 541.2
ISBN 0-9545289-4-8
Contents
Introduction
E A G Armour
Correlations in positron-atom scattering
J W Humberston and P Van Reeth
Calculations of Bound States and Resonance States of Few-Body Atomic Systems
with Screened Coulomb Potentials
Y K Ho and S Kar
Treatment of positron-electron correlation using Hylleraas-type functions
E A G Armour
Low-energy electron and positron collisions with the R-matrix method
J Tennyson and J Franz
Variational calculations on positronic bound states
K Strasburger and M Wolcyrz
Positron and positronium chemical physics by quantum Monte Carlo.
Toward the exact calculation of scattering and annihilation properties
M Mella
Spin-unrestricted second-order Moller--Plesset
correlation energies of the atoms He through Kr
S Hofener and W Klopper
Approximations in Linear R12 Theories
E F Valeev
Local and density fitting approximations in MP2-F12 theory
F R Manby
Beyond the Standard Approximation in Coupled Cluster R12 Theory
J Noga and S Kedzuch
Accurately solving the electronic Schrodinger equation using explicitly
correlated multi-reference methods
R J Gdanitz
Recent advances in explicitly correlated electronic structure theory using
short-range correlation factors
S Ten-no