Complete publications list for R. D. Poshusta September 22, 1995

• J. C. Browne, R.D. Poshusta,"Quantum Mechanical Integrals over Gaussian Atomic Orbitals", J. Chem. Phys. 36, 1933 (1962).
• R. D. Poshusta and F. A. Matsen, "Potential Curve of the Metastable Helium Molecule", Phys. Rev. 132, 307 (1963).
• R.D. Poshusta and F. A. Matsen, "Permutation-Algebraic Formulation of Transition Density Matrices", J. M. Phys. 7, 711 (1966).
• A.G. Pearson, R.D. Poshusta, and J. C. Browne, "Potential Surfaces of H3+ by Gaussian Orbitals" J. Chem. Phys. 44, 1815 (1966).
• F.A. Matsen, A.A. Cantu, R.D. Poshusta, " Spin-Free Quantum Chemistry III, Bond Functions and the Pauling Rules", J. Phys. Chem 70, 1558 (1966).
• R. D. Poshusta, "Permutational symmetries of Reduced Density Matrices", J. Math. Phys. 8, 955 (1967).
• R. D. Poshusta and F. A. Matsen, "Geometries and Binding Energies of Hn+", J. Chem. Phys. 47, 4795 (1967).
• R.D. Poshusta and R.W. Kramling, "Spin-Free Self-Consistent-Field Theory", Phys. Rev. 167, 139 (1968).
• R.D. Poshusta and D.F. Zetik, "Geometry and Binding Energy of He3+", J. Chem. Phys. 48, 2826 (1968).
• F.A. Matsen and R.D. Poshusta, "Spin-Free Formulation of the N- Representability Problem", Queen's Papers (Kingston) #11 (1968).
• R. D. Poshusta and J.A. Haugen, "Ab initio Predictions for Very Small Ions", J. Chem. Phys. 51, 3343 (1969).
• D.F. Zetik and R. D. Poshusta, "Ab initio Potential Surfaces of HeH2++", J. Chem Phys. 52, 4920 (1970).
• R.D. Poshusta, "Comment: Discussion on Small Molecules", Int. J. Quantum Chem. 4, 147 (1971).
• D.J. Klein, R.D. Poshusta, B.R. Junker, and F. A. Matsen, "Computation in the Spin-Free Formulation of the Polyelectronic Problem" Int. J. Quantum Chem 4, 141 (1971).
• R.D. Poshusta, D.W. Klint, and A. Liberles, "Ab initio Potential Surfaces of BeH2+, J. Chem Phys. 55, 252 (1971).
• R. D. Poshusta, W.F. Siems, "Ab initio Calculations on He2H+", J. Chem. Phys. 55, 1995 (1971).
• Klaus Ruedenberg and R.D. Poshusta, "Matrix Elements and Density Matrices for Many-Electron Spin Eigenstates Built from Orthonormal Orbitals", Adv. Quantum Chem. 6, 267 (1972).
• R.D. Poshusta and D.F. Zetik, "Ab initio Potential Surfaces for H4+" J. Chem. Phys. 58, 118 (1973).
• J. W. Johnson and R.D. Poshusta, "Lower Bound Gaussian Orbitals for Hydrogen-Like Atoms", Int. J. Quantum Chem. 7, 951 (1973).
• R.D. Poshusta and V.P. Agrawal, "The Stability of HeH3+", J. Chem. Phys. 59, 2477 (1973).
• Lydia Salmon and R.D. Poshusta, "Correlated Gaussian Wavefunctions for H3+", J. Chem. Phys. 59, 3497 (1973).
• W.I. Salmon and R.D. Poshusta, "Polarized-Orbital Valence Bond Calculations on the Ground state of H5+", J. Chem. Phys. 59, 4867 (1973).
• V.P. Agrawal, R.D. Poshusta and W.D. Moseley, "The Use of Gaussian Sell Type Orbitals for Single Center Expansions", Int. J. Quantum Chem. 9, 635 (1975).
• W.F. Siems and R.D. Poshusta, "Permutation Algebraic Approach to Geminal Product Matrix Elements", J. Chem. Phys. 64, 6 (1976).
• Josef Michl, R.D. Poshusta, "Hydrogen Excimer -- A Bound State of H4+" in The Exiplex, edited by Gordon and Ware (Academic Press, 1975).
• W. Gerhartz, R.D. Poshusta, and Josef Michl, "Excited Potential Energy Hypersurfaces for H4 at Trapezoidal Geometries. Relation to Photochemical 2s+2s Processes", J. Am. Chem. Soc. 98, 6427 (1976).
• J. W. Johnson and R.D. Poshusta, "Lower Bound Molecular Orbitals for H2+, HeH++, and H3+", Int. J. Quantum Chem. 11, 885 (1977).
• W. Gerhartz, R. D. POshusta, and J. Michl, "Excited Potential Energy Hypersurfaces for H4. 2. Triply Right (C2v) Tetrahedral Geometries", J. Am. Chem. Soc. 99, 4263 (1977).
• R.D. Poshusta, "Tetrahedral Gaussian Lobe Functions", Int. J. Quantum Chem. 12, 225 (1977).
• R.D. Poshusta, "Singer Polymals. I. Evaluation of Matrix Elements", Int. J. Quantum Chem. 13, 27 (1978).
• R.D. Poshusta, "Singer Polymals II. Tempering Methods", Int. J. Quantum Chem. 14, 59 (1979).
• R.D. Poshusta, "The GCM Ansatz", Proceedings of the International Seminar on the Generator Coordinate Method, L. Lathouwers, P. vanLeuven (eds.) (1980) p. 15.
• R.D. Poshusta and D.J. Klein, "Novel ab initio Correlated Calculation for an Infinite Chain of Hydrogen atoms", Phys. Rev. Lett. 48, 1555 (1982).
• K.W. Hipps and R.D. Poshusta, "Ab initio and Semiempirical Studies of the Equilibrium Geometry and In-Plane Vibrational Spectra of Tetracyanoethylene and the Tricyanovinyl Alcoholate Anion", J. Phys. Chem 86, 4112 (1982).
• R.D. Poshusta, "Nonadiabatic Singer Polymal Wave Functions for Three- Particle Systems", Intern. J. Quantum. Chem. 24, 65 (1983).
• R.D. Poshusta, "Book review: A Development of Quantum Mechanics" by G. Duffey, Am. J. Physics, 52, 1156 (1984).
• R.D. Poshusta, "Book review: Computer-Based Studies for Physical Chemistry" by Gordon M. Barrow, J. Chem. Ed. 61, A206 (1984).
• W. D. Wheeler and R.D. Poshusta, "The Electronic Structure of trans- [Cr(ox)2(py)2]- by the X-alpha Scattered Wave Method", Inorg. Chem. 24, 3100 (1985).
• R.D. Poshusta, "Critical Masses for Three Coulombic Particles", J. Phys. B 18, 1887 (1985).
• Pressprich, Willett, Poshusta, Saunders, Davis, and Gard, "Structure of Bis(pyrazinium) trichromate, and Bond Length Correlation", Inorganic Chemistry, 27, 260 (1988).
• R. D. Poshusta, "Codes for Rooted Trees" Proceedings of MATH/CHEM/COMP Conference at Dubrovnik (1988).
• R.D. Poshusta and M.C. McHughes, "Subgraph Enumeration and Chemical Cluster Expansions", Proc. Int. Symp. MATH/CHEM/COMP, Dubrovnik (1988).
• R.D. Poshusta, T.G. Schmalz, and D.J. Klein, "Heisenberg-model Cluster Expansion for Half-filled Hubbard and PPP Models", Mol. Phys. 66, 317 (1989).
• R.D. Poshusta and M.C. McHughes, "Graph-Theoretic Cluster Expansions. Embedding Frequencies." J. Math. Phys. 3, 193 (1989).
• R.D. Poshusta, "The Tri-atomic Helium Molecular Ion by ab initio Valence Bond theory" in Valence Bond theory and Chemical Structure, D.J. Klein and N. Trinajstic, Eds., Vol. 64 in series: Studies in Physical and Theoretical Chemistry, (Elsevier, 1990).
• Mary C. McHughes and R.D. Poshusta, "Graph-Theoretic Cluster Expansions. Thermochemical Properties of Alkanes", J. Math. Chem. 4, 227 (1990).
• R. D. Poshusta and D. J. Klein, "Ab initio Correlated calculations for and Alternating Infinite chain of Hydrogen Atoms", Theochem. 75, 103 (1991).
• R.D. Poshusta, D. J. Klein, and J. Mekelburger, "Ground-State Real-Space Renormalization for Linear-Chain Heisenberg Models with Alternation", Physica A 170, 265 (1991).
• R.D. Poshusta, "Spreadsheet error Analysis of Least-Squares Fitted Models Using Monte Carlo simulation." Computers in Physics, 5, 248 (1991).
• R.D. Poshusta and Don B. Kinghorn, "The Algebrant: Multi-linear Functions on Matrices. Applications in Many-Electron Quantum Mechanics." Intern. J. Quantum Chem. 41, 15-42 (1992).
• R. D. Poshusta, "Algebrants in Many Electron Quantum Mechanics. II. New Computational Algorithms." Int. J. Quantum Chem. S25, 225 (1991).
• R.D. Poshusta and D.B. Kinghorn, "Non-adiabatic explicitly correlated wave functions for four particles. The positronium molecule." Physical Review A 47, 3671 (1993).
• R. D. Poshusta, D.C. Tseng, A. A. Hess, and M. I. McCarthy, "Periodic Hartree-Fock study of nitric acid monohydrate crystal: Bulk and Clean Surface", J. Phys. Chem. 97, 7295 (1993).
• R.D. Poshusta, and D.C. Tseng, "Ab initio calculation of several low lying states of carbon disulfide", J. Chem. Phys. 100, 7481 (1994).
• D. Clerc, R. D. Poshusta, and A. C. Hess, "Ab Initio Period Hartree-Fock studies of Titanium Disulfide layered crystals", J. Phys. Chem (accepted).
• R. D. Poshusta and D. B. Kinghorn, "Density Matrices for Correlated Gaussians. Helium and Dipositronium", Intern. J. Quantum Chem. (accepted).
• R. D. Poshusta, "Computer Exercises in Physical Chemistry", INTERNET publication accessed through anonymous ftp.wsu.edu in directory tree: pub/chem/scicomp.
• D. B. Kinghorn and R. D. Poshusta, "Explicitly Correlated Wave Functions for Beryllium and Dipositronium" (in preparation).