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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 29, 1975 - Issue 4
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Original Articles

Model pseudopotential open-shell LCAO-MO-SCF calculations on alkali metal trimers

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Pages 1109-1116 | Received 29 Apr 1974, Published online: 22 Aug 2006

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Read on this site (4)

J.G. Snijders & E.J. Baerends. (1977) A non-parametrized pseudopotential scheme adapted to the Hartree-Fock-Slater model. Molecular Physics 33:6, pages 1651-1662.
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D.M. Lindsay, D.R. Herschbach & AlvinL. Kwiram. (1976) E.S.R. spectra of matrix isolated alkali atom clusters. Molecular Physics 32:5, pages 1199-1213.
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Inmaculada Martin & Gary Simons. (1976) New procedure for generating valence and Rydberg orbitals. Molecular Physics 32:4, pages 1017-1025.
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Articles from other publishers (20)

P. L. Goodfriend. (1990) Comment on ‘‘Fine structure and analytical quantum-defect wave functions’’. Physical Review A 41:3, pages 1730-1731.
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D. Pavolini & F. Spiegelmann. (1987) A b   i n i t i o ground state properties of neutral X2Y and ionic X2Y+ (X,Y=Li, Na, K) alkali trimers . The Journal of Chemical Physics 87:5, pages 2854-2862.
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Renato Colle, Alessandro Fortunelli & Oriano Salvetti. (1984) Atoms in molecules. I. A charge conservation rule for taking into account the ‘‘orthogonality hole’’. The Journal of Chemical Physics 80:6, pages 2654-2659.
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H. Stoll, J. Flad, E. Golka & Th. Krüger. (1981) A comparative study of group IA and IIA homonuclear clusters. Surface Science 106:1-3, pages 251-257.
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E. R. Dietz. (1981) Scattered-wave study of the magnetic properties of the potassium trimer. Physical Review A 23:2, pages 751-757.
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Jürgen Flad, Hermann Stoll & Heinzwerner Preuss. (1979) Calculation of equilibrium geometries and ionization energies of sodium clusters up to Na8. The Journal of Chemical Physics 71:7, pages 3042-3052.
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Alex Zunger, Sid Topiol & Mark A. Ratner. (1979) First-principles pseudopotential in the local-density-functional formalism. Chemical Physics 39:1, pages 75-90.
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A.V. Nemukhin & N.F. Stephanov. (1979) Two-centre model potential energy calculations for the 2Σ and 2Π states of Li+2, Na+2, K+2, Rb+2 and Cs+2. Chemical Physics Letters 60:3, pages 421-426.
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Werner H. Gerber & Ernst Schumacher. (1978) The dynamic Jahn–Teller effect in the electronic ground state of Li3. An a b   i n i t i o calculation of the BO hypersurface and the lowest vibronic states of Li3 . The Journal of Chemical Physics 69:4, pages 1692-1703.
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Audrey L. Companion. (1978) A new diatomics-in-molecules study of Li3 and Li4. Chemical Physics Letters 56:3, pages 500-502.
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Alex Zunger & Mark A. Ratner. (1978) On the first principles Hartree—Fock and local density pseudopotentials. Chemical Physics 30:3, pages 423-443.
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Sid Topiol, Jules W. Moskowitz & Carl F. Melius. (1978) Atomic coreless Hartree–Fock pseudopotentials for atoms K through Zn. The Journal of Chemical Physics 68:5, pages 2364-2372.
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A. Herrmann, E. Schumacher & L. Wöste. (1978) Preparation and photoionization potentials of molecules of sodium, potassium, and mixed atoms. The Journal of Chemical Physics 68:5, pages 2327-2336.
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André Herrmann, Samuel Leutwyler, Ernst Schumacher & Ludger Wöste. (2004) On Metal‐Atom Clusters IV. Photoionization thresholds and multiphoton ionization spectra of alkali‐metal molecules. Helvetica Chimica Acta 61:1, pages 453-487.
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Sid Topiol, Mark A. Ratner & Jules W. Moskowitz. (1977) Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane. Chemical Physics 20:1, pages 1-7.
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Luis R. Kahn, Paul Baybutt & Donald G. Truhlar. (1976) A b   i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons . The Journal of Chemical Physics 65:10, pages 3826-3853.
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Maurice E. Schwartz. (1976) Concerning the atomic one-electron model hamiltonians of which slater-type orbitals are eigenfunctions. Chemical Physics Letters 43:2, pages 291-294.
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R.N. Yardley & G.G. Balint-Kurti. (1976) Potential energy surface for Li+Li2: AN AB initio valence-bond calculation. Chemical Physics 16:3, pages 287-294.
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A.L. Companion. (1976) Potential energy surfaces for the interaction of atomic and diatomic hydrogen with lithium metal clusters. Chemical Physics 14:1, pages 1-6.
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N. K. Ray & Jurgen D. Switalski. (1975) Floating spherical Gaussian orbital (FSGO) studies with a model potential: First row hydrides. The Journal of Chemical Physics 63:11, pages 5053-5055.
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