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AbstractAbstract

[en] The interaction between a charged particle (electron or ion) and a dipole with a fixed moment of inertia and dipole moment is the simplest anisotropic problem in atomic physics and the one with the longest range interaction field aside from the simple Coulomb interaction. It is also often a close approximation to the real interaction occurring between a charged particle and many molecules with moderate to large dipole moments. This interaction is important in many practical situations including the slowing down of electrons and ions in gases containing polar molecules, the excitation of rotational spectra, and the momentum transfer which contributes to the electrical resistivity in ionized media. A semiclassical treatment in perturbation theory was developed which gives the entire scattering matrix, elastic and inelastic, in closed form in terms of Bessel functions. This provides considerable insight into the physical consequences of the anisotropic interaction, and a convenient and rapid tool for numerical estimates. Semiclassical perturbation scattering S-matrix depends on a total of seven parameters. Five of these are the quantum numbers representing the total angular momentum (J) and the average (j and l) and differences (Δj and Δl) of the initial and final rotational and orbital angular momenta. The remaining two independent variables are the dimensionless parameters β = mDe/h

^{2}, which is a measure of the dipole interaction strength, and g = (2j + 1)h^{2}/2IE representing the extent of the perturbation in the problem. (E and m are the average collisional energy and the reduced mass, respectively.) The reliability of the SPS approach was tested by careful comparisons with close-coupling results for both the individual S-matrices and the total cross sections for selected electron-polar molecule collisions at 1 eVOriginal Title

S matrix cross sections

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Secondary Subject

Source

1978; 178 p; University Microfilms Order No. 78-22,550; Thesis (Ph. D.).

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Report

Literature Type

Thesis/Dissertation

Country of publication

ANISOTROPY, BORN APPROXIMATION, CHARGED-PARTICLE TRANSPORT, COULOMB SCATTERING, DIPOLES, ELECTRIC CONDUCTIVITY, ELECTRIC DIPOLE MOMENTS, ELECTRON-MOLECULE COLLISIONS, ELECTRONS, EMISSION SPECTRA, EXCITATION, INELASTIC SCATTERING, INTERACTION RANGE, IONIZED GASES, IONS, LINEAR MOMENTUM TRANSFER, MOMENT OF INERTIA, PERTURBATION THEORY, ROTATIONAL STATES, S MATRIX, SEMICLASSICAL APPROXIMATION, SLOWING-DOWN, TOTAL CROSS SECTIONS

BASIC INTERACTIONS, CHARGED PARTICLES, COLLISIONS, CROSS SECTIONS, DIPOLE MOMENTS, DISTANCE, ELASTIC SCATTERING, ELECTRIC MOMENTS, ELECTRICAL PROPERTIES, ELECTROMAGNETIC INTERACTIONS, ELECTRON COLLISIONS, ELEMENTARY PARTICLES, ENERGY LEVELS, ENERGY-LEVEL TRANSITIONS, EXCITED STATES, FERMIONS, FLUIDS, GASES, INTERACTIONS, LEPTONS, MATRICES, MOLECULE COLLISIONS, MOMENTUM TRANSFER, MULTIPOLES, PHYSICAL PROPERTIES, RADIATION TRANSPORT, SCATTERING, SPECTRA

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Mukherjee, D.

Proceedings of the International Symposium on atomic, molecular and solid-state theory, scattering problems, many body phenomena, and computational quantum chemistry: quantum chemistry symposium No. 20

Proceedings of the International Symposium on atomic, molecular and solid-state theory, scattering problems, many body phenomena, and computational quantum chemistry: quantum chemistry symposium No. 20

AbstractAbstract

[en] In this paper, a method of generating separable forms of the wave-operator for incomplete model spaces is discussed. With a time-dependent access to the many-body perturbation and coupled-cluster theories, it is shown how one can extract the regular part of the wave-operator which consists of linked cluster-operators only in the adiabatic limit. The procedure naturally suggests a hierarchy of lower valence model spaces P/sup (k)/, once a particular m-valence incomplete model space P/sup (m) is specified. The wave-operator Omega and the effective Hamiltonian H/sub eff/ are linked in this development and are valence-universal in the sense of being valid for P/sup (k)/'s, o ≤ k ≤ m. They have derived two distinct forms for Omega: (i) Omega = {exp(S)}, with {} as normal order with respect to suitable vacuum, where S are open operators inducing transitions from P(m) to outside it; (ii) Omega/sub N/ = {exp(S + X)}, where X are additional closed operators which are introduced to maintain isometry of Omega/sub N/: P/sup (k)/Omega/sub N/ + Omega/sub N/P/sup (k)/ = P/sub (k)/. In neither of these choices do we have intermediate normalization. It is also possible to develop an alternative strategy with the complete model spaces, such that an effective valence-universal operator H may be found which generates roots, only a subset of which are equal to the eigenvalues of H. These subsets are the ones that H/sub eff/ would have furnished. This may thus be viewed as a Fock-space realization of the intermediate Hamiltonian approach

Primary Subject

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Source

Loewdin, P.O.; Oehrn, N.Y.; Sabin, J.R.; Zerner, M.C. (eds.); Wiley (John) and Sons, New York (USA); p. 409-435; 1986; p. 409-435; Special Sanibel symposium; St. Augustine, FL (USA); 8 Mar 1986; John Wiley and Sons, Inc., 605 Third Ave., New York, NY 10158

Record Type

Report

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Conference

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Smith, F.T.; Mukherjee, D.

International conference on the physics of electronic and atomic collisions. 10th. Paris, 21-27 July 1977

International conference on the physics of electronic and atomic collisions. 10th. Paris, 21-27 July 1977

AbstractAbstract

No abstract available

Primary Subject

Source

CEA, 75 - Paris (France); v. 1 p. 482-483; ISBN 2-7272-0020-X; ; 1977; v. 1 p. 482-483; Commissariat a l'Energie Atomique; Paris, France; 10. International conference on the physics of electronic and atomic collisions (ICPEAC); Paris, France; 21 - 27 Jul 1977; Books of abstracts commercially available from North-Holland, Amsterdam, the Netherlands; Published in abstract form only.

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Book

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AbstractAbstract

No abstract available

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(c) 2009 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)

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Journal Article

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Mukherjee, D.

Proceedings of the DAE-BRNS theme meeting on fabrication and quality control of MOX fuel-present status

Proceedings of the DAE-BRNS theme meeting on fabrication and quality control of MOX fuel-present status

AbstractAbstract

[en] Quality surveillance of nuclear fuels include all the technical and management aspects of fuel quality and safety during the entire manufacturing process - design, specification, research and development, manufacturing, quality control and use stages. Well structured quality assurance program is adopted and incorporated in the Quality Control plan made based on approved specification for a specific MOX fuel type used in a specific reactor (BWR, PHWR, PFBR). The presence of radiotoxic Plutonium in MOX fuels (U-Pu) makes its mandatory that the entire process of fabrication till encapsulation of fuel element is carried out inside leak tight glove boxes and dedicated ventilation system to control level of plutonium in air. The presence of plutonium requires smaller batch processing to avoid criticality and hence stringent process control at different stages of fabrication with additional inspection steps. Due to these factors the MOX fuel fabrication cost is many folds more than that of natural UO

_{2}fuel and can be made competitive only by going to high burnups. Quality surveillance of feed material (UO_{2}and PuO_{2}powder), sintered fuel compacts, hardwares (clad, end plug, other internal components), final fuel element and fuel bundles ensures that the fuel performs reliably through the designed higher burn up. Automated inspection system with data logging in computer helps in generating reliable quality characteristic of the fuel. Special and complementary inspection techniques adopted considering various aspects viz. accuracy, reliability, type of testing (NDT or not), time taken for results and ease of documentation helps in monitoring the entire fabrication and inspection process. An overview of the quality assurance of MOX fuels for different reactors along with how the automated inspection techniques, real time inspection and special techniques adopted helps in quality surveillance of MOX fuels has been discussed here. (author)Primary Subject

Source

Kelkar, Anoop; Prakash, Amrit; Mohd Afzal; Panakkal, J.P. (Advanced Fuel Fabrication Facility, Bhabha Atomic Research Centre, Tarapur (India)) (eds.); Advanced Fuel Fabrication Facility, Bhabha Atomic Research Centre, Tarapur (India); 64 p; 2012; p. 52-57; FQCMF-2012: DAE-BRNS theme meeting on fabrication and quality control of MOX fuel-present status; Tarapur (India); 16 Mar 2012; 4 refs., 6 figs.

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Book

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Conference

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ACTINIDE COMPOUNDS, CHALCOGENIDES, ENERGY SOURCES, ENRICHED URANIUM REACTORS, FUELS, MATERIALS, NUCLEAR FUELS, OXIDES, OXYGEN COMPOUNDS, PLUTONIUM COMPOUNDS, POWER REACTORS, REACTOR MATERIALS, REACTORS, SOLID FUELS, THERMAL REACTORS, TRANSURANIUM COMPOUNDS, URANIUM COMPOUNDS, WATER COOLED REACTORS, WATER MODERATED REACTORS

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AbstractAbstract

[en] Phenol, a ubiquitous component of industrial effluents, is a common pollutant of water resources and a serious threat to fish. The present work demonstrates that a significant amount of phenol is retained by various tissues of the common carp, Cyprinus carpio, and the snake-headed murrel, Channa punctatus. The rate of [

^{14}C]phenol accumulation was higher carp than in the murrel. It is suggested that retention of phenol in the brain and ovary may seriously affect the reproductive potential of the fishPrimary Subject

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AbstractAbstract

[en] Semiclassical perturbation scattering theory is applied to electron-polar-molecule scattering. Cross sections for elastic and rotationally inelastic transitions are obtained for Δj = 0, 1, 2, 3, 4, in the case of a pure charge-dipole interaction potential. Results are presented in terms of functions of dimensionless parameters involving the moment of inertia I and dipole moment μ of the target, and the mass, charge, and energy of the projectile. A range of these parameters sufficient to describe most situations of practical interest is explored. Significant oscillations are found in the cross sections for vertical-bar Δj vertical-bar = 0 and 2 as a function of dipole strength β = mμe/h

^{2}. For vertical-bar Δj vertical-bar = 1, the Born approximation is shown to be appropriate for β very-much-less-than 1, and invalid for β approx. = 1 or > 1. Scaling rules are deduced which should aid in the correlation and extrapolation of quantal calculations on specific systems. With the guidance of the Born approximation, scaling principles are also suggested for differential scatteringPrimary Subject

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Journal Article

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Physical Review. A; v. 17(3); p. 954-967

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AbstractAbstract

[en] In this paper the authors' recently developed non-perturbative open-shell theory (MuKherjee et al. Molec. Phys; 30: 1861(1975) and Pramana; 4: 247(1975)) is adapted for 'direct' evaluation of ionisation potential and excitation energies. Separating the 'core' contribution from the 'valence' part through the use of a multiple-cluster-expansion operator, the method provides a systematic way of including various core-valence interaction and core relaxation components. MF orbitals have been used as the basis for facilitating detailed comparison of the method with perturbative and propagator techniques. It has been shown that the method encompasses all the important second-order contributions of the latter formalisms and certain other classes of diagrams in a compact manner. An application to a simple 4π electronic problem is discussed to illustrate how this method works for real systems. (author)

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Source

National UGC symposium on theoretical chemistry; Bombay, India; Dec 1977

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Journal Article

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Conference

Journal

Journal of Physics. B, Atomic and Molecular Physics; ISSN 0022-3700; ; v. 12(1); p. 1-18

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AbstractAbstract

No abstract available

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Journal of Plasma Physics; v. 9(1); p. 65-76

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AbstractAbstract

[en] It appears that the danger of encountering ''intruder states'' is substantially reduced if an effective hamiltonian formalism is developed for incomplete model spaces (IMS). In a Fock-space approach, the proof a ''connected diagram theorem'' is fairly straightforward with exponential-type of ansatze for the wave-operator W, provided the normalization chosen for W is separable. Operationally, one just needs a suitable categorization of the Fock-space operators into ''diagonal'' and ''non-diagonal'' parts that is generalization of the corresponding procedure for the complete model space. The formalism is applied to prototypical 2-electron systems. The calculations have been performed on the Cyber 205 super-computer. The authors paid special attention to an efficient vectorization for the construction and solution of the resulting coupled non-linear equations

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Anon; p. 13; 1987; p. 13; ISOC 87 Secretarist, Room 209; London (UK); 1. international conference of the impact of supercomputers on chemistry; London (UK); 13-16 Apr 1987

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