S. Wilson

发表

Literate programming in quantum chemistry: a collaborative approach to the development of theory and computer code

H.M. Quiney *, S. Wilson, 2005 .

COMMENTS ON THE BASIS SETS USED IN RECENT STUDIES OF ELECTRON CORRELATION IN SMALL MOLECULES

D. Moncrieff, S. Wilson, J. Kobus, 2001 .

SYSTEMATIC CONSTRUCTION OF BASIS SUBSETS OF HIGHER ANGULAR MOMENTUM FUNCTIONS IN ELECTRON CORRELATION ENERGY CALCULATIONS

D. Moncrieff, S. Wilson, 1999 .

DISTRIBUTED GAUSSIAN BASIS SETS : A STOCHASTIC VARIATIONAL APPROACH FOR DIATOMIC MOLECULES

S. Wilson, 1999 .

A comparison of finite basis set and finite difference Hartree-Fock calculations for the open- shell (X2Σ+) molecules BeF, MgF, CaF and SrF

D. Moncrieff, S. Wilson, J. Kobus, 1999 .

Distributed Gaussian basis sets in correlation energy studies: the second order correlation energy f

D. Moncrieff, S. Wilson, 1998 .

Practical Ab Initio Methods for Molecular Electronic Structure Studies. II. Finite Basis Sets and the Algebraic Approximation

S. Wilson, S. Wilson, 1997 .

ON THE CONVERGENCE OF THE HARTREE-FOCK ENERGY FOR NEGATIVE IONS USING SYSTEMATICALLY CONSTRUCTED BASIS SETS OF PRIMITIVE GAUSSIAN-TYPE FUNCTIONS

S. Wilson, A. Shalabi, 1995 .

On the expansion of molecular wavefunctions in a Gaussian basis set

S. Wilson, 1995 .

On the Accuracy of the Algebraic Approximation in Relativistic Electronic Structure Calculations

I. P. Grant, H. Quiney, S. Wilson, 1989 .

On the Relativistic Many-Body Perturbation Theory of Atomic and Molecular Electronic Structure

I. P. Grant, H. Quiney, S. Wilson, 1989 .

van der Waals interaction potentials: Many-body effects in Ne3

B. H. Wells, S. Wilson, 1986 .

On the diagrammatic analysis of electron correlation effects in atoms and molecules : fifth-order energy components

S. Wilson, 1994 .

Practical AB Initio Methods for Molecular Electronic Structure Studies. III. Molecular Integrals Over Gaussian-Type Functions

S. Wilson, 1997 .

Practical Ab Initio Methods for Molecular Electronic Structure Studies. IV. Relativistic Many-Body Perturbation Theory

S. Wilson, 1997 .

The Dirac equation in the algebraic approximation. VI. Molecular self-consistent field studies using basis sets of Gaussian-type functions

I. P. Grant, S. Wilson, L. Laaksonen, 1988 .

Theoretical study of HSiO/+/ and HOSi/+/

S. Wilson, 1978 .

Systematics of l=6 (d,p) transitions in N=83 nuclei and a unified-model interpretation

S. Ipson, W. Booth, S. Wilson, 1974 .

On the application of Brillouin-Wigner perturbation theory to a relativistic and non-relativistic hydrogenic model problem

H. Quiney, S. Wilson, I. Hubač, 2001 .

On the generalized Brillouin-Wigner perturbation theory and the many-body problem

S. Wilson, I. Hubač, 2001 .

A comparison of finite difference and finite basis set Hartree-Fock calculations for the N2 molecule with finite nuclei

H. Quiney, S. Wilson, J. Kobus, 2001 .

A posteriori corrections to multireference limited configuration interaction based on a Brillouin-Wigner perturbative analysis

P. Mach, S. Wilson, I. Hubač, 2002 .

On the Estimation of the Remainder Term in Møller-Plesset MP2 Theory from Limited Configuration Interaction

S. Wilson, I. Hubač, 2002 .

A NOTE ON LARGE CORRELATION-CONSISTENT GAUSSIAN BASIS SETS

D. Moncrieff, S. Wilson, 1996 .

State selective electron capture by slow S2+ recoil ions in atomic and molecular hydrogen

R. McCullough, S. Wilson, H. Gilbody, 1990 .

Pade approximants and many-body perturbation theory: an application to the CH+ ion

S. Wilson, 1979 .

Special invariance properties of [N+1/N] Padé approximants in Rayleigh-Schrödinger perturbation theory II. Molecular interaction energies

D. Silver, S. Wilson, 1982, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Scaling and Pade approximants in electron correlation calculations

S. Wilson, 1979 .

Comment on: ``Accurate universal Gaussian basis set for all atoms of the periodic table'' [J. Chem. Phys. 108, 5225 (1998)]

D. Moncrieff, S. Wilson, 1999 .

On the accuracy of the algebraic approximation in molecular electronic structure calculations. IV. An application to a polyatomic molecule: the CO2 molecule in the Hartree-Fock approximation

D. Moncrieff, S. Wilson, 1995 .

State-selective electron capture by slow S3+ recoil ions in H, H2 and He

R. McCullough, S. Wilson, H. Gilbody, 1990 .

State-selective electron capture by 2-8 keV O2+ recoil ions in H, H2 and He

R. McCullough, S. Wilson, H. Gilbody, 1990 .

State-selective electron capture by slow O3+ and Ne3+ recoil ions in H

R. McCullough, S. Wilson, H. Gilbody, 1988 .

State-selective capture by slow Ar4+, Ar5+ and Ar6+ recoil ions in H, H2 and He

R. McCullough, S. Wilson, H. Gilbody, 1987 .

A comparison of finite basis set and finite difference Hartree-Fock calculations for the InF and TlF molecules

D. Moncrieff, S. Wilson, J. Kobus, 1998 .

Basic Elements of Relativistic Atomic and Molecular Quantum Mechanics

U. Kaldor, S. Wilson, 2003 .

On the use of many-body perturbation theory and quantum-electrodynamics in molecular electronic structure theory☆

S. Wilson, 2001 .

On the effects of basis set truncation and electron correlation in conformers of 2-hydroxy-acetamide

G. Day, S. Wilson, P. J. Grout, 1998 .

The Coulson–Fischer wave functions for the ground and excited states of H2 and HeH+: parametrisation using distributed Gaussian basis sets

S. Wilson, V. Glushkov, 2014 .

On the use of Brillouin-Wigner perturbation theory for many-body systems

S. Wilson, I. Hubač, 2000 .

On the Coulson–Fischer wave function for the X 1A′ H+3 molecular ion: parametrisation using distributed Gaussian basis sets

Stephen Wilson, S. Wilson, V. Glushkov, 2014 .

Theoretical microwave spectral constants for C3H/+/ and C4H/+/

S. Green, S. Wilson, 1980 .

Theoretical study of isocyanoacetylene and the isocyanoethynyl radical. [interstellar reactions]

S. Wilson, 1978 .

A universal basis set for high-precision molecular electronic structure studies: correlation effects in the ground states of , CO, BF and

D. Moncrieff, S. Wilson, 1998 .

A comparison of finite basis set and finite difference methods for the ground state of the CS molecule

D. Moncrieff, S. Wilson, J. Kobus, 1994 .

Theoretical study of the thioformyl ion

S. Wilson, 1978 .

Theoretical study of the butadiynyl and cyanoethynyl radicals - Support for the identification of C3N in IRC + 10216

S. Green, S. Wilson, 1977 .

van der Waals interaction potentials: Many-body effects

B. H. Wells, S. Wilson, S. Wilson, 1985 .

On the representation matrices for the symmetric group adapted to electron-pair and electron-group wave functions using graphical methods of spin algebras

S. Wilson, I. Hubač, 2012 .

A study of the 140Ce(d, p) and 142Nd(d, p) reactions at 19 MeV

S. Ipson, W. Booth, S. Wilson, 1975 .

A study of the 144Sm(d, p) reaction at 19 MeV

W. Booth, S. Wilson, 1975 .

Theoretical Chemistry and Physics of Heavy and Superheavy Elements — An Introduction

U. Kaldor, S. Wilson, 2003 .

Applicability of nondegenerate many-body perturbation theory to quasi-degenerate electronic states. II. A two-state model

J. Paldus, K. Jankowski, S. Wilson, 1985 .

Many-body Brillouin–Wigner second-order perturbation theory: an application to the autoaromatisation of hex-3-ene-1,5-diyne (the Bergman reaction)

P. Mach, J. Pittner, P. Neogrády, 2008 .

Many-body Brillouin–Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem†

P. Mach, P. Papp, S. Wilson, 2007 .

Many-body Brillouin–Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH

P. Mach, J. Pittner, P. Papp, 2006 .

On the generalized multi-reference Brillouin-Wigner coupled cluster theory

S. Wilson, I. Hubač, 2001 .

On the use of limited configuration interaction for many-body systems

P. Mach, S. Wilson, I. Hubač, 2000 .

Distributed Gaussian basis sets: a comparison with finite difference Hartree–Fock calculations for potential energy curves of H2, LiH and BH

S. Wilson, J. Kobus, V. Glushkov, 2008 .

The Coulson–Fischer wave function: parametrisation using distributed Gaussian basis sets

S. Wilson, V. Glushkov, Stephen Wilson, 2009 .

On the Accuracy of the Algebraic Approximation in Molecular Electronic Structure Studies: VII. Matrix Valence Bond Calculations for the Hydrogen Molecule Ground State

D. Moncrieff, S. Wilson, 1997 .

Diagrammatic Many-Body Perturbation Theory

S. Wilson, 1983 .

Quantum systems in chemistry and physics

John R. Sabin, Per-Olov Löwdin, P. Löwdin, 1999 .

Parametrisation of the optimised effective potential method based on the Coulson–Fischer wave function for excited states

S. Wilson, V. Glushkov, 2020 .

Distributed Gaussian Basis Sets: Some Recent Results and Prospects

David Moncrieff, S. Wilson, D. Moncrieff, 1997 .

EXCITED STATE SELF-CONSISTENT FIELD THEORY USING EVEN-TEMPERED PRIMITIVE GAUSSIAN BASIS SETS

S. Wilson, V. Glushkov, 2006 .

On the accuracy of the algebraic approximation in molecular electronic structure calculations: V. Electron correlation in the ground state of the nitrogen molecule

Stephen Wilson, D. Moncrieff, S. Wilson, 1996 .

On the use of MP2 theory for electron molecules correlation in atoms and molecules

Stephen Wilson, S. Wilson, I. Hubač, 2001 .

Brillouin-Wigner Expansions in Quantum Chemistry: A robust approach to the quantum many-body problem in molecules

S. Wilson, I. Hubač, 2003 .

Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree–Fock calculations for diatomic molecules: III. The ground states of N2, CO and BF

Stephen Wilson, David Moncrieff, D. Moncrieff, 2001 .

On the accuracy of the algebraic approximation in molecular electronic structure calculations: VIII. Matrix Hartree-Fock and many-body perturbation theory applied to a negative molecular ion

D. Moncrieff, S. Wilson, 1999 .

Many-body perturbation theory of molecules

C. Thomson, S. Wilson, 1981 .

A universal basis set for high precision electronic structure studies

D. Moncrieff, S. Wilson, J. Kobus, 1995 .

Visualization of deficiencies in approximate molecular wave functions: the local orbital energy function for the matrix Hartree—Fock model

D. Moncrieff, S. Wilson, J. Kobus, 2001 .

Systematic Truncation of a Distributed Universal Even-Tempered Basis Set of Gaussian Functions: an Application to the Ground State of the BF Molecule

D. Moncrieff, S. Wilson, 2000 .

Systematic Sequences of Even-Tempered Gaussian Primitives for Diatomic Molecules in Solution

S. Wilson, P. J. Grout, G. J. Keith, 1998 .

Visualization of deficiencies in approximate molecular wave functions: the orbital amplitude difference function for the matrix Hartree-Fock description of the ground state of the boron fluoride molecule

D. Moncrieff, S. Wilson, J. Kobus, 1997 .

A comparison of finite difference and finite basis set Hartree-Fock calculations for the ground state potential energy curve of CO

D. Moncrieff, S. Wilson, J. Kobus, 1994 .

A universal basis set for high-precision molecular electronic structure studies

D. Moncrieff, S. Wilson, 1994 .

On the energies of low-lying excited electronic states of molecules

S. Wilson, V. Glushkov, N. Gindopoulos, 2001, Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.

The Dirac Equation in the algebraic approximation. VII. A comparison of molecular finite difference and finite basis set calculations using distributed Gaussian basis sets

H. Quiney, S. Wilson, V. Glushkov, 2001 .

On the convergence of the many-body perturbation theory second-order energy component for negative ions using systematically constructed basis sets of primitive Gaussian-type functions

S. Wilson, A. Shalabi, 1998 .

A posteriori Brillouin—Wigner correction of limited multireference configuration interaction: analysis for an (H2)4 cluster model

P. Mach, S. Wilson, I. Huba[cbreve], 2003 .

Many-Body Perturbation Theory and its Application to the Molecular Structure Problem

S. Wilson, A. Hinchliffe, A. Hinchliffe, 2004 .

Distributed basis sets of s-type Gaussian functions in molecular electronic structure calculations. The Gaussian cell model revisted

B. J. Ralston, S. Wilson, 1995 .

Practical Ab Initio Methods for Molecular Electronic Structure Studies. I. An Overview

S. Wilson, S. Wilson, 1997 .

Applicability of non‐degenerate many‐body perturbation theory to quasidegenerate electronic states: A model study

J. Paldus, S. Wilson, K. Janmkowski, 1983 .

Distributed Basis Sets of s-Type Gaussian Functions for Simple Diatomics: Anharmonic-Model Distribution

S. Wilson, V. Glushkov, 2007 .

On the accuracy of the algebraic approximation in molecular electronic structure calculations. III. Comparison of matrix Hartree-Fock and numerical Hartree-Fock calculations for the ground state of the nitrogen molecule

D. Moncrieff, S. Wilson, 1993 .

On the accuracy of the algebraic approximation in electronic structure calculations for the ground states of H32+ and H43+ using basis sets of atom-centred Gaussian-type functions

S. Wilson, 1992 .