I. Grant

发表

H. Quiney, I. Grant, 2022, Atoms.

Bertha — 4-Component Relativistic Molecular Quantum Mechanics

I. Grant, 2002 .

On the relativistic electron-electron interaction

I. Grant, 1987 .

Diagrammatic perturbation theory: a comparison of numerical methods with basis set expansion techniques for a model problem

H. Quiney, Stephen Wilson, I. Grant, 1985 .

The representation of higher-order relativistic corrections in the MCDF-EAL method

J. Hata, I. Grant, 1983 .

PROGRESS WITH BERTHA: A RELATIVISTIC ATOMIC AND MOLECULAR STRUCTURE PACKAGE

H. Quiney, I. Grant, 2006 .

The 23S-23PJ, J=0,1,2 intervals in neutral helium

J. Hata, I. Grant, 1983 .

Multiconfiguration Dirac-Hartree-Fock Calculations with Spectroscopic Accuracy: Applications to Astrophysics

C. Fischer, T. Brage, P. Jönsson, 2017 .

On the interpretation of Hund's rules in atomic spectra

N. Pyper, I. Grant, 1977 .

RELATIVISTIC CALCULATION OF TRANSITION PROBABILITIES FOR 557.7 nm AND 297.2 nm EMISSION LINES IN OXYGEN

C. T. Chantler, T. Nguyen, J. A. Lowe, 2013 .

The Dirac equation in the algebraic approximation. II. Extended basis set calculations for hydrogenic atoms

Stephen Wilson, K. Dyall, I. Grant, 1984 .

HYPERFINE AND PT-ODD EFFECTS IN YBF 2SIGMA

H. Quiney, H. Skaane, I. Grant, 1998 .

RELATIVISTIC CALCULATION OF ATOMIC STRUCTURES.

Ian P. Grant, I. Grant, 1970 .

Relativistic configuration-interaction approach to the elastic low-energy scattering of electrons from atoms

S. Fritzsche, J. Sienkiewicz, I. Grant, 1995 .

Accurate Dirac-Coulomb energies for the ground states of helium-like atoms

F. Parpia, I. Grant, 1990 .

CFPJJ—Fractional parentage coefficients for equivalent electrons in jj-coupling

I. Grant, 1984 .

Relativistic atomic structure theory: Some recent work†

I. Grant, 1984 .

Incidence of Relativistic Effects in Atoms

I. Grant, 1983 .

Formulation of the Relativistic N-Electron Problem

I. Grant, 1983 .

Analysis of fine-structure excitation energies in Dirac-Fock and perturbation theories

S. Rose, N. Pyper, I. Grant, 1982 .

Theoretical Chemistry of the 7p series of superheavy elements. I. Atomic Structure studied by multi-configuration Dirac-Fock theory

N. Pyper, I. Grant, 1981, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Many-Electron Effects in the Theory of Nuclear Volume Isotope Shift

I. Grant, 1980 .

Spectroscopic Studies with a Multiconfiguration Dirac-Fock Program

S. Rose, B. J. McKenzie, N. Beatham, 1980 .

The direct and indirect effects in the relativistic modification of atomic valence orbitals

S. Rose, N. Pyper, I. Grant, 1978 .

The relation between successive atomic ionization potentials

N. Pyper, I. Grant, 1978, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Relativistic effects on interactions between heavy atoms: the HgHg potential

R. Gerber, N. Pyper, I. Grant, 1977 .

Studies in multiconfiguration Dirac-Fock theory. I. The low-lying spectrum of Hf III

D. Mayers, N. Pyper, I. Grant, 1976 .

The effect of relativity on atomic wave functions

V. Burke, I. Grant, 1967 .

Relativistic Radiative Transitions

I. Grant, 1957 .

Relativistic Quantum Theory of Atoms and Molecules: Theory and Computation (Springer Series on Atomic, Optical, and Plasma Physics)

I. Grant, 2010 .

Nuclear quadrupole moment of scandium

C. Fischer, J. Bieroń, I. Grant, 1997 .

Invariant Imbedding and Time-Dependent Transport Processes (Modern Analytic and Computational Methods in Science and Mathematics, Volume Two)

Richard Bellman, Robert E. Kalaba, I. P. Grant, 1966, Mathematical Gazette.

Final-state intensities in photoelectron spectra of 4f electrons as predicted by relativistic calculations

P. A. Cox, N. Beatham, A. F. Orchard, 1979 .

Electron scattering by Se XXV (neon-like selenium) using the Dirac R-matrix method

P. Norrington, F. Parpia, W. Wijesundera, 1991 .

Low-energy electron scattering by Fe XXIII and Fe VII using the Dirac R-matrix method

P. Norrington, I. Grant, 1987 .

Inner-shell transitions of Fe XXIII and Fe XXIV in the X-ray spectra of solar flares

R. D. Cowan, J. Lemen, K. Phillips, 1984 .

Atomic self-energy calculations using partial-wave mass renormalization

H. Quiney, I. Grant, 1994 .

A new approach to relativistic multi-configuration quantum mechanics in titanium

C. T. Chantler, J. A. Lowe, I. Grant, 2010 .

Relativistic atomic structure calculations for highly ionized atoms

I. Grant, 1985 .

An Introduction to Relativistic Theory as Implemented in GRASP

C. Fischer, T. Brage, M. Godefroid, 2022, Atoms.

Inclusion of the electron anomaly in effective Hamiltonians for perturbative (Breit-Pauli) and non-perturbative approaches to fine structure

D. L. Cooper, J. Hata, I. Grant, 1985 .

Tests of QED in two-electron ions. II. The 23S-23P0,1,2 energies

J. Hata, I. Grant, 1983 .

Tests of QED in two-electron ions. I. Methodology and 23P fine structure

J. Hata, I. Grant, 1983 .

The Kβ X-ray emission spectrum of argon: a theoretical account

K. Dyall, I. Grant, 1984 .

Tests of QED in two-electron ions. IV. A status report

J. Hata, I. Grant, 1984 .

Tests of QED in two-electron ions. III. α6mc2 corrections

J. Hata, I. Grant, 1983 .

A plain man's view of the muffin-tin approximation in molecular calculations, and the solid state

M. Whitehead, I. Grant, 1976 .

Rayleigh-Ritz approximation of the Dirac operator in atomic and molecular physics

H. Quiney, I. Grant, 2000 .

RELATIVISTIC CALCULATION OF ATOMIC PROPERTIES

I. Grant, 1994 .

Theory of (d, p) and (d, n) Reactions II: Coulomb Corrections and Numerical Results

I. P. Grant, I. Grant, 1955 .

GRASP: A general-purpose relativistic atomic structure program

F. A. Parpia, I P Grant, K. Dyall, 1989 .

A program to calculate transverse Breit and QED corrections to energy levels in a multiconfiguration Dirac-Fock environment

I. P. Grant, P. Norrington, B. J. McKenzie, 1984 .

An atomic multiconfigurational Dirac-Fock package

Ian P. Grant, D. F. Mayers, D. Mayers, 1984 .

Ab initio relativistic quantum chemistry: four-components good, two-components bad!*

Harry M. Quiney, I P Grant, H. Quiney, 1998 .

Ab initio determination of satellite intensities in transition-metal photoemission spectroscopy using a multiconfiguration framework

I. P. Grant, C. T. Chantler, J. A. Lowe, 2011 .

B-spline methods for radial Dirac equations

I. Grant, 2009 .

The grasp2K relativistic atomic structure package

I. P. Grant, Per Jönsson, X. He, 2007, Comput. Phys. Commun..

New version: Grasp2K relativistic atomic structure package

I. P. Grant, Gediminas Gaigalas, Per Jönsson, 2013, Comput. Phys. Commun..

GRASP92: a package for large-scale relativistic atomic structure calculations

I. P. Grant, Charlotte Froese Fischer, F. A. Parpia, 1996, Comput. Phys. Commun..

Gauge invariance and relativistic radiative transitions

I P Grant, I. Grant, 1974 .

CESD97 — A revised version to expandjj-coupled symmetry functions into determinants

Ian P. Grant, S. Fritzsche, S. Fritzsche, 1997 .

Chapter 3 - Relativistic Self-Consistent Fields

H. Quiney, I. Grant, 2002 .

The 6s26p and 6s6p2 resonances in electron scattering by neutral Hg

P. Norrington, W. Wijesundera, I. Grant, 1992 .

Electron scattering by Kr XXIX (oxygen-like krypton) using the Dirac R-matrix method

P. Norrington, F. Parpia, W. Wijesundera, 1991 .

Radiative transfer in a rayleigh scattering atmosphere

G. Hunt, I. Grant, 1968 .

Partial-wave mass renormalization in atomic QED calculations

H. Quiney, I. Grant, 1993 .

Theoretical determination of characteristic x-ray lines and the copper K alpha spectrum.

C. T. Chantler, C. Chantler, A. Hayward, 2009, Physical review letters.

Phase conventions, quasi-spin and the jj-LS transformation coefficients

K. Dyall, I. Grant, 1982 .

Relativistic atomic structure calculations

I. Grant, 1979 .

Theory of (d, p) and (d, n) Reactions I: General Theory Ignoring Coulomb Effects

I. Grant, 1954 .

Hyperfine and PT-odd effects in YbF

I. P. Grant, H. Quiney, H. Skaane, 1998 .

A program for the complete expansion of jj-coupled symmetry functions into Slater determinants

Ian P. Grant, S. Fritzsche, S. Fritzsche, 1995 .

A program for generating complete active spaces for relativistic atomic structure calculations

F. Parpia, W. Wijesundera, I. Grant, 1993 .

Relativistic atomic structure and electron–atom collisions

I. P. Grant, I. Grant, 1991 .

Large-scale calculations of atomic level and transition properties in the aluminum isoelectronic sequence from Ti X through Kr XXIV, Xe XLII, and W LXII

P. Jönsson, G. Zanna, G. Gaigalas, 2017 .

MCDHF and RCI calculations of energy levels, lifetimes and transition rates for 3l3l ', 3l4l ', and 3s5l states in Ca IX - As XXII and Kr XXV

C. Fischer, P. Jönsson, I. Grant, 2017 .

Accurate multiconfiguration calculations of energy levels, lifetimes, and transition rates for the silicon isoelectronic sequence - Ti IX – Ge XIX, Sr XXV, Zr XXVII, Mo XXIX

C. Fischer, T. Brage, P. Jönsson, 2016 .

Ab-initio calculation of the 2s2 1So-2s3p 3P1 intercombination transition in beryllium-like ions

Ian P. Grant, S. Fritzsche, S Fritzsche, 1994 .

Program to calculate pure angular momentum coefficients in jj-coupling☆

I. P. Grant, G. Gaigalas, S. Fritzsche, 2001, physics/0405129.

Relativistic quantum theory of atoms and molecules

I. P. Grant, I. Grant, 2006 .

On the ab initio calculation of the 5S2o-3PJe intercombination transitions in P II: relativity and electron relaxation

I. P. Grant, S. Fritzsche, S. Fritzsche, 1994 .

The transverse electron-electron interaction in atomic structure calculations

B. J. McKenzie, I. Grant, 1980 .

Breit interaction in multi-configuration relativistic atomic calculations

I. P. Grant, N. Pyper, I. Grant, 1976 .

Combining Multiconfiguration and Perturbation Methods: Perturbative Estimates of Core–Core Electron Correlation Contributions to Excitation Energies in Mg-Like Iron

C. Fischer, P. Jönsson, I. Grant, 2017 .

Ab initio MCDHF calculations of electron–nucleus interactions

I. P. Grant, C. Fischer, P. Pyykkö, 2015 .

LARGE-SCALE MULTICONFIGURATIONAL DIRAC-FOCK CALCULATIONS OF THE HYPERFINE-STRUCTURE CONSTANTS AND DETERMINATION OF THE NUCLEAR QUADRUPOLE MOMENT OF 49 TI

C. Fischer, J. Bieroń, I. Grant, 1999 .

ELECTRON SCATTERING BY FE XXII WITHIN THE DIRAC R-MATRIX APPROACH

P. Norrington, S. Ait-Tahar, I. Grant, 1996 .

Relativistic Electronic Structure of Atoms and Molecules

I. P. Grant, I. Grant, 1994 .

Electron scattering from Ne II using the relativistic R-matrix method

P. Norrington, I. Grant, 1981 .

The Dirac operator on a finite domain and the R-matrix method

I. Grant, 2008 .

The 6s26p3 resonances in electron scattering by neutral Pb

P. Norrington, W. Wijesundera, I. Grant, 1992 .

A class of Bessel function integrals with application in particle physics

H. Quiney, I. Grant, 1993 .

Foundations of the Relativistic Theory of Atomic and Molecular Structure

H. Quiney, I. Grant, 1988 .

Application of relativistic theories and quantum electrodynamics to chemical problems

I. P. Grant, H. Quiney, I. Grant, 2000 .

Spin asymmetries in low-energy electron scattering from cesium atoms

I. Bray, K. Bartschat, G. Baum, 1999 .

Many-body atomic physics: Electron scattering from atomic targets: application of Dirac R -matrix theory

P. Norrington, W. Wijesundera, I. Grant, 1998 .

Relativistic, quantum electrodynamic and many-body effects in the water molecule

I. P. Grant, H. Quiney, H. Skaane, 1998 .

RELATIVISTIC CALCULATION OF ELECTROMAGNETIC INTERACTIONS IN MOLECULES

I. P. Grant, H. Quiney, H. Skaane, 1997 .

DIRAC R-MATRIX MODELING OF SPIN-INDUCED ASYMMETRY IN THE SCATTERING OF POLARIZED ELECTRONS FROM POLARIZED CESIUM ATOMS

P. Norrington, S. Ait-Tahar, I. Grant, 1997 .

Numerical computation of molecular integrals via optimized (vectorized) FORTRAN code

Tony C. Scott, I P Grant, M. Monagan, 1997 .

Correlations and level statistics in complex spectra

J. Oberdisse, P. Marketos, J. Connerade, 1995 .

Parameter-free renormalization in the self-mass correction computation

V. Yakhontov, I. Grant, 1993 .

The Dirac equation in the algebraic approximation

H. Quiney, Stephen Wilson, I. Grant, 1987 .

Variational methods for Dirac wave equations

I. Grant, 1986 .

The Dirac equation in the algebraic approximation. IV. Application of the partitioning technique

Stephen Wilson, I. Grant, J. Wood, 1985 .

The Dirac equation in the algebraic approximation. III. Diagrammatic perturbation theory applied to a model problem

H. Quiney, Stephen Wilson, I. Grant, 1985 .

Matrix representation of operator products

I. P. Grant, Stephen Wilson, K. Dyall, 1984 .

The Dirac equation in the algebraic approximation. I. Criteria for the choice of basis functions and minimum basis set calculations for hydrogenic atoms

Stephen Wilson, K. Dyall, I. Grant, 1984 .

Ground-state fine structure in the boron isoelectronic sequence

B. Das, J. Hata, I. Grant, 1984 .

A general program to calculate angular momentum coefficients in relativistic atomic structure

Ian P. Grant, I. Grant, 1984 .

MCBP - A program to calculate angular coefficients of the breit interaction between electrons in the low energy limit

B. J. McKenzie, N. Pyper, N. Beatham, 1984 .

Comments on fine-structure intervals of the 1s22s22p5 2P state in fluorine isoelectronic sequence

B. Das, J. Hata, I. Grant, 1983 .

Fine structure of the 1s2s2p 4P degrees and 1s2p2 4P terms of the lithium isoelectronic sequence and wavelengths of transitions between them

J. Hata, I. Grant, 1983 .

The 1s2s2p2 5P-1s2p3 5S transitions in the beryllium isoelectronic sequence

J. Hata, I. Grant, 1983 .

Tests of quantum electrodynamics for two-electron ions

J. Hata, I. Grant, 1982 .

Conditions for convergence of variational solutions of Dirac's equation in a finite basis

I. P. Grant, I. Grant, 1982 .

A program to calculate a general recoupling coefficient

I. P. Grant, I. Grant, 1973 .

Relativistic self-consistent fields

I. Grant, 1961, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

A study of 5p excitation in atomic barium. II. A fully relativistic analysis of 5p excitation in atomic barium

J. Connerade, S. Rose, I. Grant, 1980, Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences.

A Collection of Problems on Mathematical Physics

I. Grant, 1967, The Mathematical Gazette.

Relativistic atomic structure: past, present and future

I. Grant, 2010 .

Anomalous satellite intensity discrepancy in copper x-ray lines

I. P. Grant, C. T. Chantler, J. A. Lowe, 2012 .

High-accuracy reconstruction of titanium x-ray emission spectra, including relative intensities, asymmetry and satellites, and ab initio determination of shake magnitudes for transition metals

I. P. Grant, C. T. Chantler, J. A. Lowe, 2013 .

Two-step autoionisation and the double ionisation anomaly in Ba I

S. Rose, J. Connerade, I. Grant, 1979 .

Characterization of the copper Kβ x-ray emission profile: an ab initio multi-configuration Dirac–Hartree–Fock approach with Bayesian constraints

I. P. Grant, C. T. Chantler, T. Pham, 2016 .

Studies in multiconfiguration Dirac-Fock theory. II. The even-parity low-lying spectrum of Ba I

S. Rose, N. Pyper, I. Grant, 1978 .

MCDF calculations of wavelengths and radiative lifetimes in helium-like ions

J. Hata, I. Grant, 1981 .

Discrete space theory of radiative transfer I. Fundamentals

G. E. Hunt, I P Grant, G. Hunt, 1969, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Discrete space theory of radiative transfer II. Stability and non-negativity

G. Hunt, I. Grant, 1969, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Quasilinearization and Non-Linear Boundary Value Problems

I. Grant, 1968, The Mathematical Gazette.

Dirac–Fock calculations of X-ray scattering factors and contributions to the mean inner potential for electron scattering

Peter Rez, I P Grant, P. Rez, 1994 .

Numerical Solution of the Radiative Transfer Equation in Spherical Shells

A. Peraiah, I. Grant, 1973 .

The Oxford electron‐beam ion trap: A device for spectroscopy of highly charged ions

S. Rose, W. Studholme, M. Levine, 1994 .

A multiconfiguration Dirac-Fock calculation of parity non-conservation in atoms

I. Grant, E. Plummer, 1985 .

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 .

The Dirac equation in the algebraic approximation. V. Self-consistent field studies including the Breit interaction

I. P. Grant, H. Quiney, Stephen Wilson, 1987 .

Relativistic Basis Set Methods

I. Grant, 2005 .

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

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

Comments on relativistic two-body interaction in atoms

J. Hata, I. Grant, 1984 .

Convergence of the Breit interaction in self-consistent and configuration-interaction approaches

C. T. Chantler, J. A. Lowe, I. Grant, 2014 .

Current developments in the relativistic quantum mechanics of atoms and molecules

I. P. Grant, I. Grant, 1986 .

On the accuracy of Dirac-Hartree-Fock calculations using analytic basis sets

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

Electron self-energy corrections using the Welton concept for atomic structure calculations

C. T. Chantler, J. A. Lowe, I. Grant, 2022, Radiation Physics and Chemistry.

Studies in multiconfiguration Dirac-Fock theory. IV. The low-lying spectrum of bismuth I

S. Rose, N. Pyper, I. Grant, 1978 .

Discrete Space Theory of Radiative Transfer and its Application to Problems in Planetary Atmospheres

G. E. Hunt, I. P. Grant, G. Hunt, 1969 .

Theoretical chemistry of superheavy elements E116 and E114

N. Pyper, I. Grant, 1977, Nature.

Studies in multiconfiguration Dirac–Fock theory. Part 3.—Interpretation of the electronic structure of neutral and ionized states of uranium

N. Pyper, I. Grant, 1978 .

Self-energy screening approximations in multi-electron atoms

C. T. Chantler, J. A. Lowe, I. Grant, 2013 .

Multiconfiguration Dirac-Fock calculations in open-shell atoms: Convergence methods and satellite spectra of the copper K alpha photoemission spectrum

C. T. Chantler, J. A. Lowe, I. Grant, 2010 .

Solution of Radiative Transfer Problems Using the Invariant Sn Method

G. E. Hunt, I. P. Grant, G. Hunt, 1968 .

Advanced ab initio relativistic calculations of transition probabilities for some O i and O iii emission lines

C. T. Chantler, J. A. Lowe, I. Grant, 2014 .

Ab initio determination of Kα line strengths and energies in transition metal atoms

C. T. Chantler, J. A. Lowe, I. Grant, 2012 .

Spectral Line Formation in Extended Stellar Atmospheres

A. Peraiah, I. Grant, 1972 .

SOFTWARE FOR RELATIVISTIC ATOMIC THEORY : THE GRASP PROJECT AT OXFORD

I. P. Grant, F. A. Parpia, F. Parpia, 1991 .

Calculation of Gaunt Factors for Free–Free Transitions Near Positive Ions

I. P. Grant, I. Grant, 1958 .

The diffuse reflection of radiation by model planetary atmospheres

V. Burke, I. Grant, 1966 .

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

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

Two-dimensional fully numerical solutions of molecular dirac equations. Results for ground singlet states of H2 and HeH+

L. Laaksonen, I. Grant, 1984 .

Two-dimensional fully numerical solutions of molecular Dirac equations. One-electron molecules

L. Laaksonen, I. Grant, 1984 .

Relativistic Electronic Structure Theory

I. P. Grant, I. Grant, 1992 .

Solution of radiative transfer problems in planetary atmospheres

G. Hunt, I. Grant, 1968 .

A program to calculate angular momentum coefficients in relativistic atomic structure — Revised version

I. Grant, 1984 .

Relativistic many-body perturbation theory using analytic basis functions

I. P. Grant, H. Quiney, Stephen Wilson, 1990 .