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Oscillator strengths for the X/1 Sigma+/ - A/1 Pi/ system of CH+ computed to an estimated accuracy of 10 percent from ab initio wave functions are presented. These oscillator strength values are given for the two strongest interstellar lines of 4232 and 3957 A.
A fully symmetrized multiple scattering series is considered for the description of proton-deuteron elastic scattering. An off-shell continuation of the experimentally known twobody amplitudes that retains the exchange symmeteries required for the calculation is presented. The one boson exchange terms of the two body amplitudes are evaluated exactly in this off-shell prescription. The first two terms of the multiple scattering series are calculated explicitly whereas multiple scattering effects are obtained as minimum variance estimates from the 146-MeV data of Postma and Wilson. The multiple scattering corrections indeed consist of low order partial waves as suggested by Sloan based on model studies with separable interactions. The Hamada-Johnston wave function is shown consistent with the data for internucleon distances greater than about 0.84 fm.
Using a wave function including the 1s-2s-2p eigenstates of hydrogen and the 1s ground state of positronium, we have calculated the position and width of the lowest Feshbach resonance in the e(+)-H system, which lies between the positronium rearrangement threshold and the n=2 hydrogen threshold. The method differs from the usual close-coupling method, resembling in its formulation the projection operator technique, although orthogonality of closed-channel and open-channel functions is not demanded. The resonance lies 9.8281 eV above the ground state of hydrogen and has width of 0.029 eV in this approximation.
The angular distribution of photoelectrons from atomic oxygen is investigated using Hartree-Fock (HF) wave functions. The correct formulation is used to compare HS and HF results. Agreement between these results is good and the HS calculations have been extended to atomic nitrogen and carbon as well.
Results of a calculation of the lowest (1 S) resonance below the first excitation threshold in electron-hydrogen scattering. This calculation is based on a precision Hylleraas calculation of the resonant wave function, combined with various reasonable physically motivated approximations for the nonresonant continuum. These approximations are basically the exchange- and polarized-orbital approximations. The values obtained, together with previous results obtained for the two higher (3 P and 1 D) resonances, are compared with the previous most accurate calculations, and some differences are noted.
A wave-function-dependent four-vector potential is added to the Dirac equation in order to achieve conservation of energy and momentum for a Dirac electron and its emitted electromagnetic field. The resultant equation contains solutions which describe transitions between different energy states of the electron. As a consequence it is possible to follow the space-time evolution of such a process. This evolution is shown in the case of the spontaneous emission of an electromagnetic field by an electron bound in a hydrogen-like atom. The intensity of the radiation and the spectral distribution are calculated for transitions between two eigenstates. The theory gives a self-consistent deterministic description of some simple radiation processes without using quantum electrodynamics or the correspondence principle.
Radiationless K-LL transition probabilities have been calculated nonrelativistically in j-j coupling and in intermediate coupling, without and with configuration interaction, for elements with atomic numbers from 13 to 47. The system is treated as a coupled two-hole configuration. The single-particle radial wave functions required in the calculation of radial matrix elements, and in the calculation of mixing coefficients in the intermediate-coupling scheme, were obtained from Green's atomic independent-particle model. Comparison with previous theoretical work and with experimental data is made. The effects of intermediate coupling, configuration interaction, and relativity are noted.
Rigorous lower-bound p-wave positron-hydrogen phase shifts are calculated below the positronium pickup threshold. The wave function is expanded in terms of the two linearly independent D functions each multiplied by an associated Hilleraas-type radial function with two parameters. Adiabatic and nonadiabatic corrections have been included. The results are found to be larger than Armstead's (1968) in all cases near the upper edge of his estimated uncertainty.
The adequacy of a multiple scattering description of nucleon-deuteron scattering at intermediate energy is examined. Although the multiple-scattering series is expected to converge slowly, model calculations indicate that the higher-order multiple-scattering terms contribute only to the low-order partial waves. The first two terms, nucleon exchange and single scattering, are assumed to describe the high-order partial waves completely. It is assumed that the deuteron is coupled only to the nucleon channel and that the internal structure is adequately defined by a nonrelativistic wave function.
Evaluation of quadrupole moments obtained for CO, N2, and NO(+) with multiconfiguration self-consistent-field wave functions chosen by the optimized valence configuration (OVC) approach of Wahl and Das (1972). The quadrupole moments thus obtained are compared with both experimental and Hartree-Fock values. The Hartree-Fock results are found to be not very accurate for N2, especially if vibrational averages over vibrational levels greater than 1 or 2 are to be taken. The agreement between the OVC quadrupole moment and the experimental values is found to be best for CO.
The present work investigates analytically the effect of an intermediate or intense magnetic field, such as probably exist in white dwarfs and near pulsars, on the binding energy of the hydrogen ground state. A wave-function 'prescription' is given for an analytic variational calculation of the binding energy. The calculation still gives a smooth transition between intermediate and intense fields. An explicit calculation of the ground-state binding energy as B goes to infinity is provided for the Yafet et al. (1956) trial function.
The components of the one- and two-particle density matrices resulting from spin projection of a single-determinant wave function are rederived by the method of expansion in terms of the natural orbitals of charge density, and the results are found to diverge from those given by Harriman and Sando for the two-particle case. The theory is generalized to include molecules with unequal numbers of electrons and basis orbitals and is applied to a number of organic molecules and ions. The correctness and internal consistency of the results argue in favor of the modification described.
A simple but accurate form for the proton-deuteron elastic double scattering amplitude, which includes both projectile and target recoil motion and is applicable at all momentum transfer, is derived by taking advantage of the restricted range of Fermi momentum allowed by the deuteron wave function. This amplitude can be directly compared to approximations which have neglected target recoil or are limited to small momentum transfer; the target recoil and large momentum transfer effects are evaluated explicitly within the context of a Gaussian model.
A three body general rearrangement collision is considered where the initial and final bound states are described by the hydrogen-like wave functions. Mathematical models are developed to establish the relationships of quantum number, the reduced mass, and the nuclear charge of the final state. It is shown that for the low lying levels, the reciprocal of n cubed scaling law at all incident energies is only approximately satisfied. The case of the symmetric collisions is considered and it is shown that for high n and high incident energy, E, the cross section behaves as the reciprocal of E cubed. Zeros and minima in the differential cross sections in the limit of high n for protons on atomic hydrogen and positrons on atomic hydrogen are given.
The adiabatic-nuclei approximation of vibrational-rotational excitation of homonuclear diatomic molecules can be simply augmented to describe the vibrational-rotational coupling by including the dependence of the vibrational wave function on j. Appropriate formulas are given, and the theory, is applied to e-H2 excitation, whereby it is shown that deviations from the simple Born-Oppenheimer approximation measured by Wong and Schultz can be explained. More important, it can be seen that the inclusion of the j-dependent centrifugal term is essential for transitions involving high-rotational quantum numbers.
The angular distributions of photoelectrons from atomic oxygen, nitrogen, and carbon are calculated. Both Hartree-Fock and Hartree-Slater (Herman-Skillman) wave functions are used for oxygen, and the agreement is excellent; thus only Hartree-Slater functions are used for carbon and nitrogen. The pitch-angle distribution of photoelectrons is discussed, and it is shown that previous approximations of energy-independent isotropic or sin squared theta distributions are at odds with the authors' results, which vary with energy. This variation with energy is discussed, as is the reliability of these calculations.
Stability against catastrophic radial collapse is demonstrated for initially well-behaved, localized solutions in a class of two- and three-dimensional wave equations characterized by saturating nonlinearities, which model various electrostatic and electromagnetic 'caviton' structures in an asymptotically uniform plasma. This result contrasts sharply with mathematical predictions of equations with low-order nonlinearities. Discrete classes of possible quasistationary modes exhibit features comparable to atomic wave functions and differ qualitatively from one-dimensional structures.
A three-body general-type rearrangement collision is considered in which the initial and final bound states are described by hydrogen-like wave functions. It is shown that the charge-exchange amplitude in the first Born approximation can be expanded at all incident energies in terms of the inverse powers of the principal quantum number (n). By expanding the exchange amplitude in this way, it is demonstrated conclusively that the cross section for capture into the s, p, and d states as well as for the sum over all the angular-momentum states is proportional to 1/n-cubed plus terms proportional to higher inverse odd powers of n. It is found that the low-lying levels cannot be scaled to the 1/n-cubed law irrespective of the value of the incident energy except in the case of capture into the s states in accordance with the Oppenheimer-Brinkman-Kramers approximation. Zeros and minima in the differential cross sections are given in the limit of high principal quantum number for electron capture by protons from atomic hydrogen and for positronium formation by proton-atomic hydrogen collisions.