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Masthead

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Masthead

  • Page: fmi
  • First Published: 17 January 1972

Articles

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CI Methods for the calculation of hyperfine structures, lifetimes, and molecular potential energy surfaces

D. Beck,  C. Nicolaides,  W. Luken,  O. Sinanoǧlu, 
  • Pages: 1-7
  • First Published: 17 January 1972
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The correlation energy of atomic fluorine

D. F. Scofield,  N. C. Dutta,  C. M. Dutta, 
  • Pages: 9-17
  • First Published: 17 January 1972
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The correlation energy difference between ch and the carbon atom

T. E. Walker,  Hugh P. Kelly, 
  • Pages: 19-24
  • First Published: 17 January 1972
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Relativistic treatment of outer electron orbitals

Jean-Paul Desclaux, 
  • Pages: 25-41
  • First Published: 17 January 1972
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What can one learn with muons about atomic physics?

B. Fricke, 
  • Pages: 43-46
  • First Published: 17 January 1972
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Hulthen transform functions for the 2s orbitals of atoms

John Gruninger,  Richard Bailo, 
  • Pages: 47-50
  • First Published: 17 January 1972
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A simple non-exponential function for use in atomic and molecular wave functions for use in atomic and molecular wave functions

Charles W. Scherr, 
  • Pages: 51-58
  • First Published: 17 January 1972
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Darboux functions and power series expansions with examples from isoelectronic sequences

E. Brändas,  O. Goscinski, 
  • Pages: 59-72
  • First Published: 17 January 1972
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Test of the g-matrix condition on the two-matrix satisfying the pauli restriction

L. J. Kijewski, 
  • Pages: 73-78
  • First Published: 17 January 1972
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Calculational procedure for electron-atom scattering at arbitrary energies

Joseph Callaway,  John J. Matese, 
  • Pages: 79-85
  • First Published: 17 January 1972
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A theory of autoionization lifetimes

George V. Nazaroff, 
  • Pages: 87-102
  • First Published: 17 January 1972
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Results of an analytic calculation for the coherent atomic scattering factor for the ground state of the helium isoelectronic sequence

V. Sahni,  J. B. Krieger, 
  • Pages: 103-109
  • First Published: 17 January 1972
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Coupled-channel investigation of rotationally and vibrationally inelastic collisions between He and H2

Paul Mcguire,  David A. Micha, 
  • Pages: 111-132
  • First Published: 17 January 1972
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Coherent state representation for fermions

Charles M. Bowden, 
  • Pages: 133-143
  • First Published: 17 January 1972
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Canonical transformations and molecular structure calculations

Norman M. Witriol, 
  • Pages: 145-152
  • First Published: 17 January 1972
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Geminal Localization in the Separated-Pair Model II. Excited States of the Φ-Electronic Model of Benzene†

S. Sengupta,  J. Paldus,  J. C̆íz̆ek, 
  • Pages: 153-169
  • First Published: 17 January 1972
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Direct minimization of the hartree-fock energy for alternant open shell molecules in the PPP model

Jaroslav KouteckÝ,  Vlasta BonaC̆iÓ-KouteckÝ, 
  • Pages: 171-179
  • First Published: 17 January 1972
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Configuration interaction calculations on o3 and o-3

Marie M. Heaton,  Aaron Pipano,  Joyce J. Kaufman, 
  • Pages: 181-186
  • First Published: 17 January 1972
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The shapes of three hypervalent systems of first-row atoms FH3, H4o, and F3H

Donald D. Shillady,  Carl Trindle, 
  • Pages: 187-200
  • First Published: 17 January 1972
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Calculation of molecular ionization potentials: Comparison of MSXα and ESCA

John W. D. Connolly, 
  • Pages: 201-208
  • First Published: 17 January 1972
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Methane calculations using the multiple-scattering technique with x α exchange†

J. Bryan Danese, 
  • Pages: 209-215
  • First Published: 17 January 1972
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Alternate method of choosing α in herman-skillman HFS program

R. W. Harrison,  L. C. Cusachs, 
  • Pages: 217-219
  • First Published: 17 January 1972
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Invariant atomic orbitals by radial moment analysis of accurate molecular orbitals

Louis Chopin Cusachs,  Haven Scott Aldrich, 
  • Pages: 221-229
  • First Published: 17 January 1972
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Extension of indo formalism to d orbitals and parameters for second-row atoms

Joyce J. Kaufman,  Robert Predney, 
  • Pages: 231-242
  • First Published: 17 January 1972
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Determination of the electronic structures of metal complexes by the scf-xα scattered-wave method

K. H. Johnson,  U. Wahlgren, 
  • Pages: 243-255
  • First Published: 17 January 1972
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Experimental study of the rydberg orbitals of large molecules

M. B. Robin, 
  • Pages: 257-266
  • First Published: 17 January 1972
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Energy dependence of nonradiative decay in polyatomic molecules†

Donald F. Heller,  Karl F. Freed, 
  • Pages: 267-277
  • First Published: 17 January 1972
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Solvent dependence of pyrene monomer and excimer fluorescence quenching by heavy atoms

Mohyi-Eldin M. Abu-Zeid, 
  • Pages: 279-293
  • First Published: 17 January 1972
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On polarizability calculations

Shlomo Nir,  Steve Adams,  Robert Rein, 
  • Pages: 295-300
  • First Published: 17 January 1972
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Electron distribution in a short a-type hydrogen bond

Peter Lindner,  John R. Sabin, 
  • Pages: 301-304
  • First Published: 17 January 1972
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Molecular orbital calculations on biopolymers. III. conductivity in nucleic-acid base homopolymers

R. L. Flurry Jr.,  D. L. Breen, 
  • Pages: 305-310
  • First Published: 17 January 1972
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Polarization directions of electronic transitions in large conjugated molecules of low symmetry

J. Downing,  J. Michl, 
  • Pages: 311-317
  • First Published: 17 January 1972
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Quantum chemical calculations on antipsychotic drugs and narcotic agents

Joyce J. Kaufman,  Ellen Kerman, 
  • Pages: 319-335
  • First Published: 17 January 1972
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Molecular orbital calculations on the conformation of polypeptides and proteins X. The conformational energy maps of the cysteinyl and methionyl residues

D. Perahia,  B. Pullman,  P. Claverie, 
  • Pages: 337-351
  • First Published: 17 January 1972
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Towards an interaction theory for large molecules

James R. Rabinowitz,  T. J. Swissler,  Robert Rein, 
  • Pages: 353-361
  • First Published: 17 January 1972
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Electronic structure of some odorant molecules of the benzaldehyde type

P. Lindner,  O. Mårtensson, 
  • Pages: 363-366
  • First Published: 17 January 1972
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The influence of protons and salts on the reactivity of hemoglobin with oxygen

J. M. Salhany, 
  • Pages: 367-374
  • First Published: 17 January 1972
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Topological conformational similarities among antipsychotic drugs, narcotics and biogenic amines: A summary†

Joyce J. Kaufman,  Albert A. Manian, 
  • Pages: 375-381
  • First Published: 17 January 1972
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Pair distribution functions for hard-sphere mixtures

E. W. Grundke,  D. Henderson, 
  • Pages: 383-385
  • First Published: 17 January 1972
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Energy bands of diatomic crystals in the many-neighbor approximation

Sydney G. Davison, 
  • Pages: 387-393
  • First Published: 17 January 1972
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Phase shift inversion of fermi surface data for some of the transition metals†

Jerry C. Shaw,  J. B. Ketterson,  L. R. Windmiller, 
  • Pages: 395-402
  • First Published: 17 January 1972
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First principle energy bands and optical properties of insulating crystals

Nunzio O. Lipari, 
  • Pages: 403-410
  • First Published: 17 January 1972
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Magnetism and spin-free quantum chemistry

F. A. Matsen, 
  • Pages: 411-417
  • First Published: 17 January 1972
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A spectral function for an interacting electron-lattice system

C. Alton Coulter,  Romas A. Shatas, 
  • Pages: 419-427
  • First Published: 17 January 1972
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Superconductivity in 1971

Bernd T. Matthias, 
  • Page: 429
  • First Published: 17 January 1972
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Analytic Ground State Energies of two-electron Atoms

Edwin J. Callan, 
  • Pages: 431-434
  • First Published: 17 January 1972
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A direct calculation of the excitation energies of closed-shell systems using the green function techniqueM†

J. C̆íz̆ek,  J. Paldus, 
  • Pages: 435-438
  • First Published: 17 January 1972
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A note on space spanning

Nelson H. F. Beebe, 
  • Pages: 439-441
  • First Published: 17 January 1972
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Perturbation expansion of the single-electron density matrix for the impurity problem

I. Adawi, 
  • Pages: 443-444
  • First Published: 17 January 1972
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Mutually consistent integrals for approximate scf-lcao-mo calculations

Ilyas Absar, 
  • Pages: 445-450
  • First Published: 17 January 1972
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Use of localized orbitals to circumvent convergence difficulties in lcao-mo-scf calculations

J. H. Letcher,  I. Absar,  J. R. Van Wazer, 
  • Pages: 451-452
  • First Published: 17 January 1972
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Scattering of waves in one dimension

I. Adawi, 
  • Pages: 453-454
  • First Published: 17 January 1972
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Site symmetry in molecular point groups

R. L. Flurry Jr., 
  • Pages: 455-458
  • First Published: 17 January 1972
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A study of energy-dependent operators which simulate exchange-correlation operators

T. C. Collins,  R. N. Euwema,  A. B. Kunz, 
  • Pages: 459-461
  • First Published: 17 January 1972