Zobrazeno 1 - 10 of 70 pro vyhledávání: '"N. C. Pyper"'
1
Confined helium, density dependence of the inelastic electron and photon scattering cross-sections and the optical oscillator strength
Autor: N. C. Pyper, Colm T. Whelan
Publikováno v: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 478
The electron and photon excitation of confined and compressed atoms is discussed. It is shown that the optical oscillator strength, the inelastic X-ray and electron impact cross-sections are all density-dependent. Ab-initio electronic structure calcu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::71abb10f015a578cdb1db97428cc37b1
https://doi.org/10.1098/rspa.2022.0036
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2
Relativity and the periodic table
Autor: N. C. Pyper
Publikováno v: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 378:20190305
The periodic table provides a deep unifying principle for understanding chemical behaviour by relating the properties of different elements. For those belonging to the fifth and earlier rows, the observations concerning these properties and their int
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56c2e835567331e5cfb60cd5b3d24338
https://doi.org/10.1098/rsta.2019.0305
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3
Excited helium under high pressures in the bulk and in nanobubbles
Autor: N. C. Pyper, T. C. Naginey, Peter D. Nellist, Colm T. Whelan
Publikováno v: Philosophical Magazine Letters. 97(8)
We systematically investigate the effects of intense pressures on the excitation energies of helium trapped in bubbles in order to deepen our understanding of the fundamental physics of atoms in extreme conditions. The (Formula presented.) excitation
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http://ora.ox.ac.uk/objects/uuid:
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4
The noble gas dimers as a probe of the energetic contributions of dispersion and short-range electron correlation in weakly bound systems
Autor: Michael P. Housden, N. C. Pyper
Publikováno v: Molecular Physics. 105:2353-2361
The binding of the noble gas dimers is examined using a theory in which the Hartree–Fock interaction energy is augmented with both a short-range correlation term derived from the theory of a uniform electron-gas plus a dispersion energy damped acco
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::03189ff4bf1dc254ad4d5e54e063a699
https://doi.org/10.1080/00268970701618432
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5
Cubic crystal cohesion and geometry-dependent spherical deformations of ions
Autor: N C Pyper
Publikováno v: Journal of Physics: Condensed Matter. 15:815-821
The cohesive properties of cubic ionic crystals are, in principle, affected by the response of anions to symmetry-preserving changes of their environment away from the equilibrium nuclear geometry. The importance of such a response is investigated by
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9d4bc46dc0d462fc2855e5adfcb0fdfa
https://doi.org/10.1088/0953-8984/15/6/308
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6
The cohesive energetics of solid cesium chloride
Autor: N. C. Pyper
Publikováno v: The Journal of Chemical Physics. 118:2308-2324
The cohesive energetics of the sixfold and eightfold coordinated phases of solid cubic cesium chloride are studied using a nonempirical fully ionic description. The Oxford Dirac–Fock program is used to compute the ion wave functions and rearrangeme
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::42ed40a5cbc40dfadea951674cdaaef2
https://doi.org/10.1063/1.1533033
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7
The 1s2 → 1s2p(1P) excitation energy for helium atoms in liquid helium, solid helium and helium bubbles in metals
Autor: D. W. Essex, Colm T. Whelan, N. C. Pyper
Publikováno v: Philosophical Magazine B. 81:91-115
The energy of the He 1s2 → 1s2p(1P) transition for helium atoms in liquid helium, solid helium and helium bubbles in metals is greater than for free helium atoms by an amount known as the energy shift. The energy shift is calculated by combining th
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::977a26300535bd385f20d079d95da8fd
https://doi.org/10.1080/13642810010007467
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9
Relativistic theory of nuclear shielding in one-electron atoms 2. Analytical and numerical results
Autor: Z. C. Zhang, N. C. Pyper
Publikováno v: Molecular Physics. 97:391-413
Non-decomposition theory (Pyper, N. C., 1983, Chem. Phys. Lett., 96, 204; 1999, Molec. Phys., 97, 381) based on the Dirac equation is used to derive fully relativistic analytical expressions for the nuclear shieldings of the 1s, 2[pbar] and 2p states
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::72492eeb426d5860b4cf98641769590c
https://doi.org/10.1080/00268979909482840
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10
Relativistic theory of nuclear shielding in one-electron atoms 1. Theoretical foundations and first-order terms
Autor: N. C. Pyper
Publikováno v: Molecular Physics. 97:381-390
The nuclear shielding in NMR spectroscopy is given in relativistic theory (Pyper, N. C., 1983, Chem. Phys. Lett., 96, 204) as the sum of the exact relativistic analogues of the non-relativistic diamagnetic and paramagnetic terms augmented by a furthe
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::388a2d68f4f43b6e572b980e56dbf763
https://doi.org/10.1080/00268979909482839
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