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Floating s- and p-type Gaussian Orbitals (1975)
Journal Article
Brailsford, D. F., Hall, G. G., Hemming, N., & Martin, D. (1975). Floating s- and p-type Gaussian Orbitals. Chemical Physics Letters, 35(4), https://doi.org/10.1016/0009-2614%2875%2985638-7

The advantages of including a small number of p-type gaussian functions in a floating spherical gaussian orbital calculation are pointed out and illustrated by calculations on molecules which previously have proved to be troublesome. These include mo... Read More about Floating s- and p-type Gaussian Orbitals.

Fast assembly of fock matrices utilising symmetry properties of the basis set (1973)
Journal Article
Brailsford, D. F., & Hylton, J. (1973). Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18(4), https://doi.org/10.1016/0009-2614%2873%2980475-0

A method of assembling the elements of the Fock matrix is described which is a modification of that due to Dacre. Lists of symmetry equivalent one-electron integrals are used as pointers to abbreviate the process of collecting two-electron integrals... Read More about Fast assembly of fock matrices utilising symmetry properties of the basis set.

The OPIT system II: job control and scheduling for large applications programs (1973)
Journal Article
Brailsford, D. F., & Prentice, J. A. (1973). The OPIT system II: job control and scheduling for large applications programs. Computer Physics Communications, 5(2), https://doi.org/10.1016/0010-4655%2873%2990029-5

A strategy is described for a controlling algorithm (‘the job’) to schedule and supply many data sets (‘problems’) to a large, long-running applications program. The algorithm also controls very closely the run time environment of each problem and pr... Read More about The OPIT system II: job control and scheduling for large applications programs.

The OPIT system part I. (1973)
Journal Article
Packer, J. C., & Brailsford, D. F. (1973). The OPIT system part I. Computer Physics Communications, 5,

The OPIT program is briefly described. OPIT is a basis-set-optimising, self-consistent field, molecular orbital program for calculating properties of closed-shell ground states of atoms and molecules. A file handling technique is then put forward whi... Read More about The OPIT system part I..

Symmetry properties of one- and two- electron molecular integrals (1971)
Journal Article
Brailsford, D. F., & Hall, G. G. (1971). Symmetry properties of one- and two- electron molecular integrals. International Journal of Quantum Chemistry, V,

The maximum numbers of distinct one- and two-electron integrals that arise in calculating the electronic energy of a molecule are discussed. It is shown that these may be calculated easily using the character table of the symmetry group of the set of... Read More about Symmetry properties of one- and two- electron molecular integrals.

Electric field strengths and ion trajectories in sharp-edge field ionization sources (1970)
Journal Article
Brailsford, D. F. (1970). Electric field strengths and ion trajectories in sharp-edge field ionization sources. Journal of Physics D: Applied Physics, 3,

On the presumption that a sharp edge may be represented by a hyperbola, a conformal transformation method is used to derive electric field equations for a sharp edge suspended above a flat plate. A further transformation is then introduced to give el... Read More about Electric field strengths and ion trajectories in sharp-edge field ionization sources.

Calculated ionization potentials of the linear alkanes (1970)
Journal Article
Brailsford, D. F., & Ford, B. (1970). Calculated ionization potentials of the linear alkanes. Molecular Physics, 18(5),

The equivalent orbital (EO) method is investigated and used for predicting outer and inner ionization potentials of the linear alkanes. The calculated ionization potentials are in good agreement with those observed in photoelectron spectra provided t... Read More about Calculated ionization potentials of the linear alkanes.

Experimental investigation of the use of sharp edges for the production of positive ions in field-ionization mass spectrometry (1968)
Journal Article
Blenkinsop, P., Job, B., Brailsford, D. F., Cross, C., & Robertson, A. (1968). Experimental investigation of the use of sharp edges for the production of positive ions in field-ionization mass spectrometry. International journal of mass spectrometry and ion processes, 1(6), 421-434. https://doi.org/10.1016/0020-7381%2868%2985019-3

Various commercial razor blades have been tested for field ionization performance and compared with edges prepared electrochemically from platinum and tungsten foils. The results are correlated with data obtained from electron micrographs of the vari... Read More about Experimental investigation of the use of sharp edges for the production of positive ions in field-ionization mass spectrometry.

Calculation of electric field strengths at a sharp edge (1968)
Journal Article
Brailsford, D. F., & Robertson, A. J. B. (1968). Calculation of electric field strengths at a sharp edge

Sharp edges were first used for field ionisation mass spectrometry by Beckey. Although Cross and Robertson found that etched metal foils were more effective than razor blades for field ionisation, blades are very convenient for determination of field... Read More about Calculation of electric field strengths at a sharp edge.

Automorphic forms of higher order
Journal Article
Deitmar, A., & Diamantis, N. Automorphic forms of higher order. Journal of the London Mathematical Society, 80(1), https://doi.org/10.1112/jlms/jdp015

In this paper a theory of Hecke operators for higher-order modular forms is established. The definition of higher-order forms is extended beyond the realm of parabolic invariants. A canonical inner product is introduced. The role of representation th... Read More about Automorphic forms of higher order.