A. C. Wahl

发表

BISON-MC: A FORTRAN COMPUTING SYSTEM FOR MULTICONFIGURATION SELF- CONSISTENT-FIELD (MCSCF) CALCULATIONS ON ATOMS, DIATOMS, AND POLYATOMS.

G. Das, A. C. Wahl, G. Das, 1972 .

Computation in quantum chemistry on a multi-experiment control and data-acquisition Sigma 5 minicomputer

A. C. Wahl, A. F. Day P. Wagner, R. Vanbuskirk, 1977 .

Molecular orbital densities: pictorial studies.

A. C. Wahl, 1966, Science.

The electronic structure of nitrogen dioxide. I. Multiconfiguration self‐consistent‐field calculation of the low‐lying electronic states

R. P. Hosteny, Gregory D. Gillispie, A. C. Wahl, 1975 .

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

A. C. Wahl, G. Das, 1966 .

New Techniques for the Computation of Multiconfiguration Self‐Consistent Field (MCSCF) Wavefunctions

A. C. Wahl, G. Das, 1972 .

The evaluation of multicenter integrals by polished brute force techniques: I. Analysis, numerical methods, and computational design of the potential‐charge distribution scheme

A. C. Wahl, R. Land, 2009 .

Evaluation of Multicenter Integrals by Polished Brute‐Force Techniques. II. Accuracy, Timing, Integral Values, and General Computational Considerations

A. C. Wahl, R. Land, 1969 .

Ground and excited states of the diatoms CN and AlO

A. C. Wahl, G. Das, T. Jānis, 1974 .

Theoretical studies of atmospheric triatomic molecules: Accurate SCF vertical spectrum for valence, mixed character, and Rydberg states of CO2

W. C. Ermler, A. C. Wahl, W. Ermler, 1977 .

Single‐Configuration Wavefunctions and Potential Curves for the Ground States of He2, Ne2, and Ar2

A. C. Wahl, T. Gilbert, 1967 .

Theoretical Study of the F2 Molecule Using the Method of Optimized Valence Configurations

A. C. Wahl, G. Das, 1972 .

Abinitio vertical spectra and linear bent correlation diagrams for the valence states of CO2 and its singly charged ions

P. J. Fortune, A. C. Wahl, W. England, 1976 .

Theoretical studies of atmospheric triatomic molecules: Abinitio equations of motion excitation energies for valence states of the configuration 1π3g2π1u in CO2

A. C. Wahl, D. Yeager, W. England, 1977 .

Theoretical Study of the 1Σ+, 3Σ+, 3Π, 1Π States of NaLi and the 2Σ+ State of NaLi+

A. C. Wahl, G. Das, P. Bertoncini, 1970 .

Extended Hartree—Fock Wavefunctions: General Theory of Optimized‐Valence Configurations and Its Application to Diatomic Molecules

A. C. Wahl, G. Das, 1967 .

Quantum‐Chemical Study of Some Pnicogen Monofluorides

A. C. Wahl, P. O'hare, 1971 .

MC SCF calculations on the lowest triplet state of H2O

A. C. Wahl, R. Hosteny, M. Krauss, 1973 .

Hartree–Fock Wavefunctions and Computed Properties for the Ground (2π) States of SF and SeF and Their Positive and Negative Ions. A Comparison of the Theoretical Results with Experiment

A. C. Wahl, P. O'hare, 1970 .

Ab initio calculations of the minimum energy path in the doublet surface for the reaction N(4S)+O2(3Σ−g) →NO(2Πu) +O(3P)

A. C. Wahl, P. Benioff, G. Das, 1977 .

A theoretical study of Li2H. I. Basis set and computational survey of excited states and possible reaction paths

A. C. Wahl, N. Sabelli, W. England, 1975 .

THE DIFFERENTIAL CORRELATION ENERGY METHOD FOR THE CALCULATION OF ELECTRON AFFINITIES, IONIZATION POTENTIALS AND VERTICAL $SPECTRA^{*}$

A. C. Wahl, J. Detrich, E. S. Sachs, 2009 .

Recent applications of the multiconfiguration self‐consistent field method to polarizabilities, excited states, van der waals forces, and triatomic surfaces

A. C. Wahl, M. Krauss, A. Karo, 2009 .

Classical inelastic scattering in Li+H2: A comparison of different potential energy surfaces

A. C. Wahl, A. Wagner, A. Karo, 1978 .

Multiconfiguration studies of some low-lying bound states of VH

A. C. Wahl, G. Das, G. A. Henderson, 1975 .

Ab initio calculation of the neon‐neon 1Σg+ potential at intermediate separations

W. J. Stevens, A. C. Wahl, A. Karo, 1974 .

Theoretical determination of the electron affinity of O2 molecule from the binding energy of O−2☆

W. T. Zemke, A. C. Wahl, G. Das, 1972 .

Single-Configuration Wavefunctions and Potential Curves for Low-Lying States of He2+, Ne2+, Ae2+, F2-, Cl2- and the Ground State of Cl2

A. C. Wahl, T. Gilbert, 1971 .

Methods for correlating molecules and some optimized valence configuration results on the diatomic molecules Li2, Be2, B2 C2, N2, F2; BN, BeO, LiF, HeNe; CO and BF

A. C. Wahl, O. Sǐnanoğlu, T. Gilbert, 1970 .

Extended Hartree–Fock Calculations for the Ground State and Hartree–Fock Calculations for the First Excited State of H2

A. C. Wahl, J. Hirschfelder, J. Bowman, 1970 .

H-F−Potential Interaction and Local Mode Frequencies for an Interstitial Hydrogen Atom in Alkaline Earth Fluorides

A. C. Wahl, W. Hartmann, T. Gilbert, 1970 .

Arsenic monofluoride (AsF, 3Σ): Dissociation enthalpy, ionization potential, electron affinity, dipole moment, spectroscopic constants, and ideal gas thermodynamic functions from a Hartree‐Fock molecular orbital investigation

A. C. Wahl, A. Batana, P. O'hare, 1973 .

Molecular Orbital Investigation of CF and SiF and Their Positive and Negative Ions

A. C. Wahl, P. O'hare, 1971 .

Dissociation Energy, Ionization Potential, Electron Affinity, Dipole and Quadrupole Moments of Chlorine Monoxide (ClO, 2Π) from Ab Initio Molecular Orbital Calculations

A. C. Wahl, P. O'hare, 1971 .

Electronic Structure and Low‐Lying Triplet States of CaO

A. C. Wahl, K. D. Carlson, C. Moser, 1970 .

Theoretical transition dipole moments and lifetimes for the A 1Σ+u→X Σ+g system of Na2

W. J. Stevens, A. C. Wahl, P. Bertoncini, 1977 .

Hartree-Fock energy curves for X2Π and 2Σ+ states of HF+

A. C. Wahl, M. Krauss, P. Julienne, 1971 .

Ab initio calculations of the barrier for internal rotation in nitrous acid

A. C. Wahl, P. Benioff, G. Das, 1976 .

AB INITIO CALCULATION OF THE HELIUM--HELIUM $sup 1$$Sigma$/sub g/$sup +$ POTENTIAL AT INTERMEDIATE AND LARGE SEPARATIONS.

A. C. Wahl, P. Bertoncini, 1970 .

Excited electronic states of O2

W. T. Zemke, A. C. Wahl, D. Neumann, 1973 .

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

A. C. Wahl, P. E. Cade, K. D. Sales, 1966 .

CN stretching in smectic. nematic. isotropic. and solution phases

R. E. Carlson, A. C. Wahl, J. C. Decius, 1978 .

Calculated long‐range interactions and low energy scattering in He+H, Ne+H, Ar+H, Kr+H, and Xe+H

A. C. Wahl, A. Wagner, G. Das, 1978 .

Calculated long‐range interactions and low energy scattering of Ar–H

A. C. Wahl, A. Wagner, G. Das, 1974 .

Hartree-Fock-Roothaan wavefunctions for diatomic molecules: II. First-row homonuclear systems A2, A2±, and A2∗

A. C. Wahl, P. E. Cade, 1974 .

Study of Two-Center Integrals Useful in Calculations on Molecular Structure. V. General Methods for Diatomic Integrals Applicable to Digital Computers

A. C. Wahl, P. E. Cade, C. Roothaan, 1964 .

Analytic Self‐Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules

A. C. Wahl, 1964 .

Theoretical and experimental studies of the N2O− and N2O ground state potential energy surfaces. Implications for the O−+N2→N2O+e and other processes

D. G. Hopper, A. C. Wahl, R. Wu, 1976 .

The Method of Optimized Valence Configurations: A Reasonable Application of the Multiconfiguration Self-Consistent-Field Technique to the Quantitative Description of Chemical Bonding*

A. C. Wahl, G. Das, 1970 .

Ab initio study of the NH radical

W. J. Stevens, A. C. Wahl, G. Das, 1974 .

Theoretical studies of atmospheric molecules: SCF and correlated potential surface results for the X 2B1 and ? 2B2 states of H2O+

P. J. Fortune, A. C. Wahl, B. Rosenberg, 1976 .

Interaction Energy Curves of LiHe and NaHe (X 2Σ+, A 2Π, B 2Σ+) and X 1Σ+ Ions

A. C. Wahl, M. Krauss, P. Maldonado, 1971 .

Theoretical studies of atmospheric molecules: SCF and correlated energy levels for the NO2, NO2+ and NO2− systems

P. J. Fortune, A. C. Wahl, W. England, 1977 .

Thermochemical and Theoretical Investigations of the Sodium‐Oxygen System. II. Properties of NaO and Its Ions from Hartree‐Fock Molecular Orbital Studies

Arnold C. Wahl, A. C. Wahl, P. O'hare, 1972 .

Accurate ab initio potential curves for the X 2Πg, A 2Πu, a 4Σ−u, and 2Σ−u states of the 0−2 ion

W. T. Zemke, A. C. Wahl, G. Das, 1978 .

Recent progress beyond the hartree-fock method for diatomic molecules: The method of optimized valence configurations†

A. C. Wahl, T. Gilbert, G. Das, 2009 .

Hartree—Fock potential energy curves, spectroscopic constants, and 1‐electron properties for the lowest 2Σg+ and 2Πu states of Li2+

W. T. Zemke, A. C. Wahl, G. A. Henderson, 1973 .

Ab initio calculation of the helium‐helium X1Σg+ potential at intermediate and large separations. II. Changes in intra‐atomic correlation energy

A. C. Wahl, P. Bertoncini, 1973 .

Potential Energy Surfaces for Air Triatomics. Volume I. Literature Review.

D. G. Hopper, P. J. Fortune, A. C. Wahl, 1975 .

Pseudopotential study of some prominent band systems of the spectra of the I2 molecule

A. C. Wahl, G. Das, 1978 .

Educational film loops on atomic and molecular structure

A. C. Wahl, Uldis Blukis, 1968 .

Optimized Valence Configurations and theF2Molecule

A. C. Wahl, G. Das, 1970 .

Oxygen Monofluoride (OF, 2π): Hartree–Fock Wavefunction, Binding Energy, Ionization Potential, Electron Affinity, Dipole and Quadrupole Moments, and Spectroscopic Constants. A Comparison of Theoretical and Experimental Results

Arnold C. Wahl, A. C. Wahl, P. O'hare, 1970 .

Theoretical Study of the van der Waals Forces in Alkali-Noble-Gas Systems

A. C. Wahl, G. Das, 1971 .

The Multiconfiguration Self-Consistent Field Method

A. C. Wahl, G. Das, 1977 .

Molecular orbital correlation diagrams for He2, He2+, N2, N2+, CO, and CO+

R. S. Mulliken, W. C. Ermler, A. C. Wahl, 1977 .

A modified pseudopotential approach to the heavy‐atomic molecular systems: Application to the X 2Σ1/2+, A 2Π1/2, and the A 2Π3/2 states of the HgH molecule

A. C. Wahl, G. Das, 1976 .

Relativity and screening effects in heavy-ion collisions

A. C. Wahl, B. Fricke, K. Rashid, 1975 .

Study of the ground state potential curve and dipole moment of OH by the method of optimized valence configurations

W. J. Stevens, A. C. Wahl, M. Krauss, 1974 .

Bison: A new instrument for the experimentalist†

A. C. Wahl, P. Bertoncini, R. Land, 2009 .

Double Configuration Self‐Consistent Field Study of the 1Πu, 3Πu, 1Πg and 3Πg States of H2

W. T. Zemke, A. C. Wahl, P. Lykos, 1969 .

Theoretical Evaluation of the Fractional Hyperfine Pressure Shift of Paramagnetic Atoms in a Noble Gas

A. C. Wahl, P. Maldonado, G. Das, 1970 .