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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
 
 
   
 
 
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