Frank Larkins - Academia.edu (original) (raw)

Papers by Frank Larkins

Research paper thumbnail of Comparison of the structure and reactivity of a Kansk-Achinsk basin (USSR) coal with those of a Latrobe Valley (Australia) coal

Energy & Fuels, 1990

ABSTRACT

Research paper thumbnail of Hydrogenation of brown coal6. Reactions of coal-derived products with hydrogen in the presence of metal-based catalysts

Research paper thumbnail of Molecular Auger rates using a statistical model and ab initio wavefunctions

J Phys B at Mol Opt Phys, 1994

Research paper thumbnail of Reactions of brown coals with CO/H2O in the presence of sodium aluminate?

Research paper thumbnail of Theoretical investigations of the L1-L23M Coster-Kronig spectrum of argon

Journal of Physics B Atomic and Molecular Physics

ABSTRACT

Research paper thumbnail of Satellite structure in the argon 2s photoelectron spectrum

Journal of Physics B Atomic and Molecular Physics

ABSTRACT

Research paper thumbnail of Satellite structure in atomic spectra. IV. The L23-MM Auger spectrum of argon

Journal of Physics B Atomic and Molecular Physics

ABSTRACT

Research paper thumbnail of Effect of an iron contaminant on the performance of a coal hydroliquefaction nickel molybdenum catalyst

Research paper thumbnail of Auger rates and 2p-photoelectron linewidths for some silicon-containing SiXnY4−n molecules

Research paper thumbnail of Multi-stage coal reactions in carbon monoxide-containing atmospheres using alkaline and hydrogenation catalysts

Coal Science and Technology, 1995

Research paper thumbnail of Single and multistage reactions of various coals to produce high yields of fluid fuel

Coal Science and Technology, 1995

Research paper thumbnail of Satellite structure in atomic spectra. I. Theoretical framework and application to excited states of the singly ionised rare gases

Journal of Physics B-atomic Molecular and Optical Physics - J PHYS-B-AT MOL OPT PHYS, 1982

A model for the calculation of satellite structure in atomic spectra is presented. Based on numer... more A model for the calculation of satellite structure in atomic spectra is presented. Based on numerical non-relativistic wavefunctions, it includes some of the effects of electron correlation via frozen-core CI calculations. The model is applied to the energies of the 2S, 2P0 and 2D states of the singly ionised rare gases Ne, Ar, Kr and Xe. The results agree with experiment to within 1 eV for most excitation energies in Ar, Kr and Xe, and for Ne when relaxation of the frozen core is accounted for. Some trends in excitation energies with atomic number are discussed, and the model's performance in the prediction of excitation energies is assessed.

Research paper thumbnail of Sulfur Kβ x-ray emission from carbonyl sulfide: Variations with polarization and excitation energy at the SK threshold

Physical Review A, 1998

Sulfur Kβ x-ray emission from carbonyl sulfide: Variations with polarization and excitation energ... more Sulfur Kβ x-ray emission from carbonyl sulfide: Variations with polarization and excitation energy at the SK threshold. KE Miyano Department of Physics, Brooklyn College, Brooklyn, New York 11210. U. Arp National Institute of ...

Research paper thumbnail of The double photoionization/fragmentation of CF 4 in the threshold region (35-80 eV)

Journal of Physics B: Atomic, Molecular and Optical Physics, 1991

ABSTRACT

Research paper thumbnail of On the additive complexity of 2 x 2 matrix multiplication

Information Processing Letters

Research paper thumbnail of Theoretical X-ray emission spectra for the fluoromethane molecules following carbon K-shell ionization

Journal of Electron Spectroscopy and Related Phenomena, 1995

Carbon K X-ray emission transition energies and probabilities have been calculated for the fluoro... more Carbon K X-ray emission transition energies and probabilities have been calculated for the fluoromethane series of molecules CH4−xFx, where x is 0–4, subsequent to carbon K-shell photoionization. Four methods were used to calculate the transition probabilities: the ground state frozen orbital method, the core-hole frozen orbital method, the transition state method, and the fully relaxed orbital method. The results were

Research paper thumbnail of Satellite structure in the argon 2p X-ray photoelectron spectrum

Journal of Physics B: Atomic and Molecular Physics, 1981

ABSTRACT

Research paper thumbnail of Satellite structure in atomic spectra. II. The outer-shell photoelectron spectra of the rare gases

Journal of Physics B-atomic Molecular and Optical Physics - J PHYS-B-AT MOL OPT PHYS, 1982

for pt.I see ibid., vol.15, p.203 (1982). A model for the calculation of atomic satellite structu... more for pt.I see ibid., vol.15, p.203 (1982). A model for the calculation of atomic satellite structure described in an earlier paper, is applied to the outer-shell photoelectron spectra of the rare gases neon, argon, krypton and xenon using muti-configuration shake theory to calculate relative intensities. The origin of the satellite structure and some trends with atomic number are discussed. The high-energy photon spectra are interpreted, although for Xe the importance of relativistic effects prevents a complete interpretation. The model is found to have achieved its aim of providing both an understanding and a basis for interpretation of atomic satellite spectra.

Research paper thumbnail of Satellite structure in atomic spectra. III. The L X-ray emission spectrum of argon

Journal of Physics B: Atomic and Molecular Physics, 1982

For pt.II see ibid., vol.15, no.2, p.219-31 (1982). The satellite structure in the argon L X-ray ... more For pt.II see ibid., vol.15, no.2, p.219-31 (1982). The satellite structure in the argon L X-ray emission spectrum has been calculated using correlated initial- and final-state wavefunctions based upon a frozen-core model for each state developed previously. Strong correlation effects in the final state give rise to intense satellite structure similar to the photoelectron satellites seen in valence-shell ionisation. The

Research paper thumbnail of The core hole decay of N2O following core to bound state excitations

The Journal of Chemical Physics, 1988

We present here a semiempirical assignment for the electronic decay spectra of core to bound stat... more We present here a semiempirical assignment for the electronic decay spectra of core to bound state resonances in N2O. The electronic final states observed in these spectra can be assigned to participator and spectator decay processes, according to whether the initially excited core electron participates or acts as a spectator in the Auger decay of the core hole. The participator states are interpreted empirically using the known one electron binding energies. The assignment of the spectator lines is derived from the calculated Auger spectrum which is corrected for the Coulomb interaction between the spectator electron and the double hole valence configuration.

Research paper thumbnail of Comparison of the structure and reactivity of a Kansk-Achinsk basin (USSR) coal with those of a Latrobe Valley (Australia) coal

Energy & Fuels, 1990

ABSTRACT

Research paper thumbnail of Hydrogenation of brown coal6. Reactions of coal-derived products with hydrogen in the presence of metal-based catalysts

Research paper thumbnail of Molecular Auger rates using a statistical model and ab initio wavefunctions

J Phys B at Mol Opt Phys, 1994

Research paper thumbnail of Reactions of brown coals with CO/H2O in the presence of sodium aluminate?

Research paper thumbnail of Theoretical investigations of the L1-L23M Coster-Kronig spectrum of argon

Journal of Physics B Atomic and Molecular Physics

ABSTRACT

Research paper thumbnail of Satellite structure in the argon 2s photoelectron spectrum

Journal of Physics B Atomic and Molecular Physics

ABSTRACT

Research paper thumbnail of Satellite structure in atomic spectra. IV. The L23-MM Auger spectrum of argon

Journal of Physics B Atomic and Molecular Physics

ABSTRACT

Research paper thumbnail of Effect of an iron contaminant on the performance of a coal hydroliquefaction nickel molybdenum catalyst

Research paper thumbnail of Auger rates and 2p-photoelectron linewidths for some silicon-containing SiXnY4−n molecules

Research paper thumbnail of Multi-stage coal reactions in carbon monoxide-containing atmospheres using alkaline and hydrogenation catalysts

Coal Science and Technology, 1995

Research paper thumbnail of Single and multistage reactions of various coals to produce high yields of fluid fuel

Coal Science and Technology, 1995

Research paper thumbnail of Satellite structure in atomic spectra. I. Theoretical framework and application to excited states of the singly ionised rare gases

Journal of Physics B-atomic Molecular and Optical Physics - J PHYS-B-AT MOL OPT PHYS, 1982

A model for the calculation of satellite structure in atomic spectra is presented. Based on numer... more A model for the calculation of satellite structure in atomic spectra is presented. Based on numerical non-relativistic wavefunctions, it includes some of the effects of electron correlation via frozen-core CI calculations. The model is applied to the energies of the 2S, 2P0 and 2D states of the singly ionised rare gases Ne, Ar, Kr and Xe. The results agree with experiment to within 1 eV for most excitation energies in Ar, Kr and Xe, and for Ne when relaxation of the frozen core is accounted for. Some trends in excitation energies with atomic number are discussed, and the model's performance in the prediction of excitation energies is assessed.

Research paper thumbnail of Sulfur Kβ x-ray emission from carbonyl sulfide: Variations with polarization and excitation energy at the SK threshold

Physical Review A, 1998

Sulfur Kβ x-ray emission from carbonyl sulfide: Variations with polarization and excitation energ... more Sulfur Kβ x-ray emission from carbonyl sulfide: Variations with polarization and excitation energy at the SK threshold. KE Miyano Department of Physics, Brooklyn College, Brooklyn, New York 11210. U. Arp National Institute of ...

Research paper thumbnail of The double photoionization/fragmentation of CF 4 in the threshold region (35-80 eV)

Journal of Physics B: Atomic, Molecular and Optical Physics, 1991

ABSTRACT

Research paper thumbnail of On the additive complexity of 2 x 2 matrix multiplication

Information Processing Letters

Research paper thumbnail of Theoretical X-ray emission spectra for the fluoromethane molecules following carbon K-shell ionization

Journal of Electron Spectroscopy and Related Phenomena, 1995

Carbon K X-ray emission transition energies and probabilities have been calculated for the fluoro... more Carbon K X-ray emission transition energies and probabilities have been calculated for the fluoromethane series of molecules CH4−xFx, where x is 0–4, subsequent to carbon K-shell photoionization. Four methods were used to calculate the transition probabilities: the ground state frozen orbital method, the core-hole frozen orbital method, the transition state method, and the fully relaxed orbital method. The results were

Research paper thumbnail of Satellite structure in the argon 2p X-ray photoelectron spectrum

Journal of Physics B: Atomic and Molecular Physics, 1981

ABSTRACT

Research paper thumbnail of Satellite structure in atomic spectra. II. The outer-shell photoelectron spectra of the rare gases

Journal of Physics B-atomic Molecular and Optical Physics - J PHYS-B-AT MOL OPT PHYS, 1982

for pt.I see ibid., vol.15, p.203 (1982). A model for the calculation of atomic satellite structu... more for pt.I see ibid., vol.15, p.203 (1982). A model for the calculation of atomic satellite structure described in an earlier paper, is applied to the outer-shell photoelectron spectra of the rare gases neon, argon, krypton and xenon using muti-configuration shake theory to calculate relative intensities. The origin of the satellite structure and some trends with atomic number are discussed. The high-energy photon spectra are interpreted, although for Xe the importance of relativistic effects prevents a complete interpretation. The model is found to have achieved its aim of providing both an understanding and a basis for interpretation of atomic satellite spectra.

Research paper thumbnail of Satellite structure in atomic spectra. III. The L X-ray emission spectrum of argon

Journal of Physics B: Atomic and Molecular Physics, 1982

For pt.II see ibid., vol.15, no.2, p.219-31 (1982). The satellite structure in the argon L X-ray ... more For pt.II see ibid., vol.15, no.2, p.219-31 (1982). The satellite structure in the argon L X-ray emission spectrum has been calculated using correlated initial- and final-state wavefunctions based upon a frozen-core model for each state developed previously. Strong correlation effects in the final state give rise to intense satellite structure similar to the photoelectron satellites seen in valence-shell ionisation. The

Research paper thumbnail of The core hole decay of N2O following core to bound state excitations

The Journal of Chemical Physics, 1988

We present here a semiempirical assignment for the electronic decay spectra of core to bound stat... more We present here a semiempirical assignment for the electronic decay spectra of core to bound state resonances in N2O. The electronic final states observed in these spectra can be assigned to participator and spectator decay processes, according to whether the initially excited core electron participates or acts as a spectator in the Auger decay of the core hole. The participator states are interpreted empirically using the known one electron binding energies. The assignment of the spectator lines is derived from the calculated Auger spectrum which is corrected for the Coulomb interaction between the spectator electron and the double hole valence configuration.