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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 39, 1980 - Issue 1
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Original Articles

SCF and CI calculations of the one-electron properties, polarizabilities and polarizability derivatives of the nitrogen molecule

Roger D. Amos University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, England
Pages 1-14 | Received 01 Jun 1979, Published online: 23 Aug 2006

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A.J. STONE & M. ALDERTON. (2002) Distributed multipole analysis Methods and applications. Molecular Physics 100:1, pages 221-233.
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D. B. LAWSON & J. F. HARRISON. (1998) The distance dependence and spatial distribution of the molecular quadrupole moments of P2, S2 and Cl2 . Molecular Physics 93:4, pages 519-530.
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F. A. GIANTURCO. (1996) Ab initio calculation of quadrupole moments of CO2 and N2 molecules as functions of nuclear geometry. Molecular Physics 89:3, pages 753-766.
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FENG WANG. (1996) Use of simulated infrared spectra to test N2-Ar pair potentials and dipole moment surfaces. Molecular Physics 88:3, pages 821-840.
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AlexanderV. Larin & VictorS. Parbuzin. (1992) Theoretical estimate of ortho-para separation coefficients for H2 and D2 on A-type zeolites for small and medium coverage. Molecular Physics 77:5, pages 869-891.
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Ivana Paidarova, Jacek Komasa & Jens Oddershede. (1991) Correlated calculations for the nuclear magnetic shieldings of CO and HCN. Molecular Physics 72:3, pages 559-573.
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Andrés García Ayllón, Jesús Santamaría, Steven Miller & Jonathan Tennyson. (1990) Calculated spectra for the N2-Ar van der Waals complex. Molecular Physics 71:5, pages 1043-1054.
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EvelyneR. Cohen de Lara. (1989) Experimental and theoretical determination of vibrational frequency shifts of diatomic molecules adsorbed in NaA zeolite. Molecular Physics 66:2, pages 479-492.
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George Maroulis & DavidM. Bishop. (1986) Electric polarizabilities and hyperpolarizabilities for the ground state of the nitrogen molecule. Molecular Physics 58:2, pages 273-283.
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T. Inoue, S. Matsushima & S. Iwata. (1985) The CI calculation of the frequency-dependent polarizability and some optical properties for N2 and O2 . Molecular Physics 56:5, pages 1097-1115.
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A.J. Stone & M. Alderton. (1985) Distributed multipole analysis. Molecular Physics 56:5, pages 1047-1064.
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V. Chandrasekharan & E. Uzan. (1985) Librational zero point motion and Raman intensities in simple molecular crystals. Molecular Physics 56:2, pages 445-451.
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WilliamA. Steele. (1985) Computer simulation study of the forbidden absorption spectra of liquid nitrogen. Molecular Physics 56:2, pages 415-430.
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G. Brocks & A. van der Avoird. (1985) Infrared spectra of the van der Waals molecule (N2)2 . Molecular Physics 55:1, pages 11-32.
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Mercy S.H. Ling & Maurice Rigby. (1984) Towards an intermolecular potential for nitrogen. Molecular Physics 51:4, pages 855-882.
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A.D. Buckingham, C. Graham & J.H. Williams. (1983) Electric field-gradient-induced birefringence in N2, C2H6, C3H6, Cl2, N2O and CH3F. Molecular Physics 49:3, pages 703-710.
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E.A. McCullough$suffix/text()$suffix/text(). (1981) Basis set error in quadrupole moment calculations. Molecular Physics 42:4, pages 943-950.
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DavidG. Bounds, Alan Hinchliffe & ColinJ. Spicer. (1981) The interaction polarizability of two nitrogen molecules. Molecular Physics 42:1, pages 73-82.
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C.S. Murthy, K. Singer, M.L. Klein & I.R. McDonald. (1980) Pairwise additive effective potentials for nitrogen. Molecular Physics 41:6, pages 1387-1399.
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