Expand Menu
All Department Publications
] . CHEMICAL SUBSTITUTION TREATED BY PARTITIONING IN HUCKEL APPROXIMATION. Journal of Chemical Physics. 1965;42:2412-&.
. TEMPERATURE DEPENDENCE OF ESR LINEWIDTHS OF SOME NITROBENZENE ANION RADICALS. Journal of Chemical Physics. 1966;44:1945-&.
. HYPERFINE SPLITTING OF INTERACTION ENERGY OF 2 HYDROGEN ATOMS. Proceedings of the National Academy of Sciences of the United States of America. 1967;57:1558-&.
. SECOND-ORDER DENSITY MATRIX FOR A SPIN-PROJECTED SINGLE DETERMINANT. Journal of Chemical Physics. 1967;46:3639-&.
. SPIN-PROJECTED AND EXTENDED SCF CALCULATIONS. Journal of Chemical Physics. 1967;47:180-&.
. N-REPRESENTABILITY PROBLEM FOR AN ODD NUMBER OF FERMIONS. Physical Review. 1968;169:101-&.
. SPIN-EXTENDED PPP SCF SPIN DENSITIES IN SOME HYDROCARBON RADICALS. Journal of Chemical Physics. 1968;48:5138-&.
. FIRST-ORDER AND SECOND-ORDER DENSITY MATRICES OF SYMMETRY-PROJECTED SINGLE-DETERMINANT WAVEFUNCTIONS. Journal of Chemical Physics. 1969;51:296-&.
. CONSTRUCTION OF APPROXIMATELY N-REPRESENTABLE DENSITY MATRICES. Physical Review a-General Physics. 1970;2:1034-&.
. PERTURBATION THEORY IN TERMS OF REDUCED DENSITY MATRICES. Journal of Chemical Physics. 1971;54:902-&.
. STUDY OF DIFFERENT APPROXIMATION IN CALCULATION OF G TENSORS - H2. Journal of Chemical Physics. 1971;55:5262-&.
. ELECTRON-SPIN RESONANCE SPECTRA OF ZWITTERION RADICALS AND ISOELECTRONIC ANION RADICALS. Journal of Physical Chemistry. 1972;76:2479-&.
. ESR INVESTIGATION OF NITROBENZENE ANION RADICAL IN SINGLE-CRYSTALS OF BENZOATE SALTS. Journal of Chemical Physics. 1976;65:2274-2287.
. SIMULATION OF DILUTE SINGLE-CRYSTAL FREE-RADICAL ESR-SPECTRA. Journal of Chemical Physics. 1976;65:2288-2295.
. A Comparison of Geometric Methods with other Methods for the Characterization of Density Matrices. International Journal of Quantum Chemistry. 1977;12:1039-1048.
. GEOMETRY OF DENSITY MATRICES .1. DEFINITIONS, N MATRICES AND 1 MATRICES. Physical Review A. 1978;17:1249-1256.
. GEOMETRY OF DENSITY MATRICES .2. REDUCED DENSITY MATRICES AND N REPRESENTABILITY. Physical Review A. 1978;17:1257-1268.
. SPIN-DENSITIES IN LIH+. Journal of Chemical Physics. 1978;69:3163-3169.
. GEOMETRY OF DENSITY MATRICES .3. SPIN COMPONENTS. International Journal of Quantum Chemistry. 1979;15:611-643.
. LIMITATION ON THE DENSITY-EQUATION APPROACH TO MANY-ELECTRON PROBLEMS. Physical Review A. 1979;19:1893-1895.
. USE OF THE HILLER-SUCHER-FEINBERG IDENTITY FOR SPIN-DENSITY CALCULATIONS. International Journal of Quantum Chemistry. 1980;17:689-695.
. ORTHONORMAL ORBITALS FOR THE REPRESENTATION OF AN ARBITRARY DENSITY. Physical Review A. 1981;24:680-682.
. DENSITY-MATRICES, REDUCED DENSITY-MATRICES, A GEOMETRIC INVESTIGATION OF THEIR PROPERTIES, AND APPLICATIONS TO DENSITY FUNCTIONAL THEORY. Lecture Notes in Physics. 1983;187:37-88.
. DENSITY-MATRIX AND DENSITY FUNCTIONAL THEORY WITH A GAUSSIAN WAVEPACKET BASIS. International Journal of Quantum Chemistry. 1983:501-515.
. GEOMETRY OF DENSITY-MATRICES .4. THE RELATIONSHIP BETWEEN DENSITY-MATRICES AND DENSITIES. Physical Review A. 1983;27:632-645.
. EQUIDENSITY AND PAIRWISE EQUIDENSITY ORBITALS FOR SYSTEMS OF NONINTERACTING FERMIONS. Journal of Chemical Physics. 1984;81:349-355.
. GEOMETRY OF DENSITY-MATRICES .5. EIGENSTATES. Physical Review A. 1984;30:19-29.
. A KINETIC-ENERGY DENSITY FUNCTIONAL. Journal of Chemical Physics. 1985;83:6283-6287.
. ANALYSIS OF THE KINETIC-ENERGY FUNCTIONAL IN DENSITY FUNCTIONAL THEORY. Journal of Chemical Physics. 1986;84:3320-3323.
. DENSITIES, OPERATORS, AND BASIS-SETS. Physical Review A. 1986;34:29-39.
. GEOMETRY OF DENSITY-MATRICES .6. SUPEROPERATORS AND UNITARY INVARIANCE. International Journal of Quantum Chemistry. 1986;30:161-212.
. THE HUSIMI FUNCTION FOR ELECTRON DISTRIBUTIONS. International Journal of Quantum Chemistry. 1987:435-456.
. POSITION, MOMENTUM, AND PHASE-SPACE ONE-ELECTRON DENSITIES OF H-2, N-2, AND LIH. Journal of Chemical Physics. 1988;89:6860-6869.
. SOME PROPERTIES OF THE HUSIMI FUNCTION. Journal of Chemical Physics. 1988;88:6399-6408.
. LOCAL ELECTRON MOMENTUM ANISOTROPY IN MOLECULES. Journal of Chemical Physics. 1990;92:2943-2952.
. N-REPRESENTABILITY OF PHASE-SPACE FUNCTIONS FOR ELECTRONS. International Journal of Quantum Chemistry. 1990:119-128.
. CHEMICAL-BONDS AND MOMENTUM ANISOTROPY IN PHASE-SPACE. Theochem-Journal of Molecular Structure. 1992;91:141-154.
. ELECTRON-DENSITIES, MOMENTUM DENSITIES, AND DENSITY-MATRICES. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences. 1993;48:203-210.
. HUSIMI REPRESENTATION FOR STATIONARY STATES. International Journal of Quantum Chemistry. 1993;45:263-294.
. A QUANTUM STATE-VECTOR PHASE-SPACE REPRESENTATION. Journal of Chemical Physics. 1994;100:3651-3661.
. LINEAR DEPENDENCIES AMONG BASIS-SET PRODUCTS AND NEAR LOCALITY OF SOME NONLOCAL OPERATORS. Journal of Chemical Physics. 1995;102:9590-9597.
. Basis set dependence of the locality of the kinetic energy operator. Journal of Chemical Physics. 1996;104:5898-5911.
. Kinetic energy matrices in a basis of equidensity orbitals. Journal of Chemical Physics. 1996;104:5912-5921.
. Locality of exchange matrices for common Gaussian basis sets. International Journal of Quantum Chemistry. 1997;63:111-119.
. Distance and entropy for density matrices. Journal of Chemical Physics. 2003;1:ER-OLOV.
. N-representability and variational stability in natural orbital functional theory. Journal of Chemical Physics. 2003;118:10835-10846.
. Self-interaction in natural orbital functional theory. Chemical Physics Letters. 2003;382:142-149.
. On the buoyancy of a helium-filled balloon. Journal of Chemical Education. 2005;82:246-247.
. Cumulants, Extensivity, and the Connected Formulation of the Contracted Schrodinger Equation. Reduced-Density-Matrix Mechanics - with Application to Many-Electron Atoms and Molecules. 2007;134:261-292.
. Reduced-density-matrix cumulants and correlation. Physical Review A. 2007;75.
Pages
Contact Us
1101 University Avenue
Madison, WI 53706
Phone: 608.262.1483
Email: chemdept@chem.wisc.edu
Get Directions
