Dispersion energy constants C 6(A, B), dipole oscillator strength sums and refractivities for Li, N, O, H2, N2, O2, NH3, H2O, NO and N2O

Accurate values for the orientation-averaged long-range dipole-dipole dispersion energy coefficients, C 6(A, B), have been determined for all possible pair interactions involving ground state H, Li, N, O, H2, N2, O2, NH3, H2O, NO, and N2O. The calculations have been carried out by employing dipole oscillator strength distributions for these species that have been constructed (except in the case of H) by using discrete oscillator strength, photo-absorption, and high energy inelastic scattering data and by requiring the distributions to reproduce the Thomas-Reiche-Kuhn sum rule and, in the case of the molecules, available accurate refractivity and dispersion measurements for the relevant dilute gases. These oscillator strength distributions were also used to evaluate the refractivity R(λ), as a function of wavelength λ in the visible and ultra-violet region below the ultra-violet absorption thresholds, and the dipole oscillator strength sums S -2l , l = 1, 2, …, 7, for each atom and molecule. The calculated...

[1]  K. Watanabe,et al.  Absorption Coefficients of Water Vapor in the Vacuum Ultraviolet , 1953 .

[2]  J. A. Barker,et al.  Liquid argon: Monte carlo and molecular dynamics calculations , 1971 .

[3]  P. W. Langhoff,et al.  Comparisons of Dispersion Force Bounding Methods with Applications to Anisotropic Interactions , 1971 .

[4]  Sten Friberg.  Über die Dispersion des Lichtes in gasförmigen Körpern innerhalb des ultravioletten Spektrums , 1927 .

[5]  S. Epstein,et al.  Evaluation of long-range retarded interaction energies. , 1967 .

[6]  P. W. Langhoff,et al.  Padé Approximants for Two‐ and Three‐Body Dipole Dispersion Interactions , 1970 .

[7]  R. Henry.  Photoionization cross sections for atomic oxygen , 1967 .

[8]  L. W. Bruch,et al.  Semiempirical Helium Intermolecular Potential. II. Dilute Gas Properties , 1970 .

[9]  L. Lorenz.  Ueber die Refractionsconstante , 1880 .

[10]  J. A. Barker,et al.  Long-range interaction forces between inert gas atoms , 1964 .

[11]  H. Bethe,et al.  Quantum Mechanics of One- and Two-Electron Atoms , 1957 .

[12]  T. G. Eck,et al.  Fine and Hyperfine Structure of the 2 2P Term of Li6 and Li7 , 1967 .

[13]  H. Michels,et al.  Variational Approach to Perturbation Theory. I. Application to the Calculation of Atomic Polarizabilities , 1965 .

[14]  G. Bethke.  Oscillator Strengths in the Far Ultraviolet. I. Nitric Oxide , 1959 .

[15]  I. I. Glass,et al.  Specific Refractivities of Atomic Nitrogen and Oxygen , 1972 .

[16]  M. Seaton.  Thermal Inelastic Collision Processes , 1958 .

[17]  R. Gordon.  Error Bounds for the Long‐Range Forces between Atoms , 1968 .

[18]  G. R. Cook,et al.  Photoionization and Absorption Coefficients of N 2 O , 1968 .

[19]  R. Saxon.  Total cross sections for inelastic scattering of charged particles by atoms and molecules. VII. The neon atom , 1973 .

[20]  I. I. Glass,et al.  Gladstone‐Dale Constants for the Oxygen Atom and Molecule , 1967 .

[21]  G. Bethke.  Oscillator Strengths in the Far Ultraviolet. II. Oxygen Schumann-Runge Bands , 1959 .

[22]  Edson R. Peck,et al.  Dispersion of Nitrogen , 1966 .

[23]  A. Filippov.  Anomale Dispersion des Lithiumdampfes , 1931 .

[24]  K. Ramaswamy,et al.  The Refractive Index Dispersion and Polarization of Gases , 1936 .

[25]  R. Dadson.  The Virial Coefficients of Gases , 1970 .

[26]  A. Dalgarno,et al.  Dipole properties of molecular hydrogen. , 1969 .

[27]  K. Watanabe.  Ultraviolet Absorption Processes in the Upper Atmosphere , 1958 .

[28]  A. E. Livingston,et al.  Beam-Foil Mean Life Measurements of Levels in N I–N V , 1974 .

[29]  C. Nicolaides,et al.  Theoretical oscillator strengths for the NI and OI resonance transitions , 1976 .

[30]  F. London,et al.  Über das Verhältnis der van der Waalsschen Kräfte zu den homöopolaren Bindungskräften , 1930 .

[31]  K. Tang.  Upper Bounds for van der Waals Interactions of Two and Three Atoms , 1968 .

[32]  J. C. Larrabee,et al.  Absorption Coefficients of Nitrogen in the 1000–580 Å Wavelength Region , 1963 .

[33]  M. V. D. Wiel,et al.  Oscillator strengths (10-70 eV) for absorption, ionization and dissociation in H2, HD and D2, obtained by an electron-ion coincidence method , 1976 .

[34]  P. W. Langhoff,et al.  Padé Summation of the Cauchy Dispersion Equation , 1969 .

[35]  A. S. Jursa,et al.  Absorption and Photoionization Cross Sections of H2O and H2S , 1964 .

[36]  A. C. Allison,et al.  Band oscillator strengths and transition probabilities for the Lyman and Werner systems of H2, HD, and D2 , 1969 .

[37]  F. F. Marmo.  Absorption Coefficients of Nitrogen Oxide in the Vacuum Ultraviolet , 1953 .

[38]  R. Cairns,et al.  Total absorption cross section of atomic oxygen below 910 angstrom units. , 1965 .

[39]  W. Byers Brown,et al.  Recent Developments in Perturbation Theory , 1964 .

[40]  B. Younglove.  Dielectric Constant of Compressed Gaseous and Liquid Oxygen. , 1972, Journal of Research of the National Bureau of Standards Section A Physics and Chemistry.

[41]  G. R. Cook,et al.  Photoionization and Absorption Cross Sections of H 2 and D 2 in the Vacuum Ultraviolet Region , 1964 .

[42]  C. P. Smyth,et al.  The Dipole Moment of Nitric Oxide , 1933 .

[43]  C. P. Smyth,et al.  The Dipole Moment of Deuteroammonia1 , 1935 .

[44]  A. Kingston.  Van der Waals Forces for the Inert Gases , 1964 .

[45]  D. Williams,et al.  Dipole properties of molecular nitrogen , 1967 .

[46]  H. Kramer.  Inequalities for van der Waals Force Constants and Quantum Mechanical Sums , 1970 .

[47]  F. London,et al.  The general theory of molecular forces , 1937 .

[48]  A. Dalgarno,et al.  Dipole Spectrum of Lithium , 1968 .

[49]  J. Rumble,et al.  Upper and lower bounds to atomic and molecular properties. III. Lithium oscillator strengths for variousS2−P2transitions , 1976 .

[50]  K. Watanabe.  Photoionization and Total Absorption Cross Section of Gases. I. Ionization Potentials of Several Molecules. Cross Sections of NH3 and NO , 1954 .

[51]  M. Karplus,et al.  Van der Waals Forces in Atoms and Molecules , 1964 .

[52]  W. J. Meath,et al.  Dipole spectrum of water vapor and its relation to the energy loss of fast-charged particles. , 1975, Radiation research.

[53]  John C. Slater,et al.  The Van Der Waals Forces in Gases , 1931 .

[54]  J. Browne,et al.  Direct-resolvent-operator computations on the hydrogen-molecule dynamic polarizability, Rayleigh, and Raman scattering , 1973 .

[55]  R. W. Nicholls,et al.  Application of dispersion techniques to molecular band intensity measurements. II. Oscillator strength of the (0,0) band of NO-γ (A2 Σ-x2 Π ) system , 1972 .

[56]  R. Saxon.  Neon polarizability and C (6) coefficient from oscillator strength distribution , 1973 .

[57]  J. Cooper.  High-energy dependence of the molecular-hydrogen photoionization cross section , 1974 .

[58]  J. N. Wilson.  On the London Potential Between Pairs of Rare‐Gas Atoms , 1965 .

[59]  William H. Smith,et al.  Lifetime measurements and absolute oscillator strengths for some vacuum-ultraviolet transitions in O I and O II , 1971 .

[60]  W. S. Watson,et al.  Photoabsorption cross sections of NO in the 380-660 AA region , 1973 .

[61]  L. Salem.  The calculation of dispersion forces , 1960 .

[62]  R. Celotta,et al.  Energy absorption by N2O in the 4 to 14 eV region , 1975 .

[63]  H. Margenau.  Note on the Calculation of van der Waals Forces , 1931 .

[64]  R. J. Bell,et al.  The van der Waals interaction of two or three atoms , 1966 .

[65]  R. E. Jennings,et al.  Determination of the Refractive Indices of Gases in the Vacuum Ultraviolet. I. The Čerenkov Radiation Method , 1963 .

[66]  E. S. Chang,et al.  Photo-ionization of lithium - A many-body calculation. , 1968 .

[67]  R. J. Bell.  Calculation of the van der Waals force constant from oscillator strength sums , 1965 .

[68]  O. Goscinski.  Upper and lower bounds to polarizabilities and van der Waals forces I. General theory , 1968 .

[69]  A. Dalgarno,et al.  Properties of the Metastable Helium Atoms , 1958 .

[70]  R. E. Huffman,et al.  Absorption and photoionization cross sections for H2O and D2O in the vacuum ultraviolet , 1973 .

[71]  K. Watanabe,et al.  Absorption Coefficients of Gases in the Vacuum Ultraviolet. Part II. Nitrous Oxide , 1953 .

[72]  W. S. Watson,et al.  Photoabsorption coefficients of molecular nitrogen in the 300-700 AA region , 1973 .

[73]  H. Werner,et al.  Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms , 1976 .

[74]  E. N. Lassettre,et al.  Generalized oscillator strengths through the water vapor spectrum to 75 eV excitation energy electron kinetic energy 500 eV , 1974 .

[75]  H. P. Kelly.  Frequency-Dependent Polarizability of Atomic Oxygen Calculated by Many-Body Theory , 1969 .

[76]  Darrell L. Judge,et al.  The absorption cross sections of N2, O2, CO, NO, CO2, N2O, CH4, C2H4, C2H6 and C4H10 from 180 to 700Å , 1973 .

[77]  G. Sorensen,et al.  Mean life measurements of 2p 2p0 levels in the lithium sequence , 1969 .

[78]  R. Huffman,et al.  Atomic oxygen oscillator strengths in the autoionization region. I. The absolute strength of the 5s′ lines , 1973 .

[79]  R. Elgin,et al.  X-Ray Absroption Table for the 2-to-200 Å Region , 1969 .

[80]  T. Bose,et al.  Dielectric and pressure virial coefficients of imperfect gases. Pure N2O , 1973 .

[81]  É. Biémont,et al.  Transition probabilities for vacuum ultraviolet lines of N I through N IV , 1974 .

[82]  Donald E. Gerhart.  Comprehensive optical and collision data for radiation action. I. H2 , 1975 .

[83]  G. A. Parker,et al.  van der Waals interactions of carbon monoxide , 1974 .

[84]  G. L. Weissler,et al.  Ultraviolet Absorption of Atomic Nitrogen in its Ionization Continuum , 1955 .

[85]  L. Wolniewicz,et al.  Polarizability of the Hydrogen Molecule , 1967 .

[86]  D. Herschbach,et al.  Combination Rules for van der Waals Force Constants , 1970 .

[87]  K. E. Erickson.  Investigation of the Invariance of Atmospheric Dispersion with a Long-Path Refractometer* , 1962 .

[88]  J. Berkowitz,et al.  Photoionization of atomic oxygen from 920 to 650 Å , 1973 .

[89]  D. Heddle,et al.  Determination of the Refractive Indices of Gases in the Vacuum Ultraviolet. II. The Rayleigh Scattering Method , 1963 .

[90]  E. Eggarter.  Comprehensive optical and collision data for radiation action. II. Ar , 1975 .

[91]  Joseph O. Hirschfelder,et al.  Advances in Chemical Physics: Intermolecular Forces , 1967 .

[92]  C. F. Curtiss,et al.  Molecular Theory Of Gases And Liquids , 1954 .

[93]  W. Fabian,et al.  Experimentally determined oscillator strengths for molecular hydrogen—I. The Lyman and Werner bands above 900Å , 1974 .

[94]  M. Stobbe.  Zur Quantenmechanik photoelektrischer Prozesse , 1930 .

[95]  H. Barrell,et al.  The Refraction and Dispersion of Air for the Visible Spectrum , 1939 .

[96]  H. Casimir,et al.  The Influence of Retardation on the London-van der Waals Forces , 1948 .

[97]  V. Carter.  High‐Resolution N2 Absorption Study from 730 to 980 Å , 1972 .

[98]  D. Denne.  Measurements of the ultrasoft X-ray absorption of Ar, Ne, N2, O2, CH4, He and H2 , 1970 .

[99]  G. Starkschall,et al.  Improved Error Bounds for the Long‐Range Forces between Atoms , 1971 .

[100]  R. Cole,et al.  Dielectric Constants of Imperfect Gases. III. Atomic Gases, Hydrogen, and Nitrogen , 1967 .

[101]  A. Dalgarno,et al.  Long-range interactions between atoms and molecules , 1967 .

[102]  H. Kramers.  The Law of Dispersion and Bohr's Theory of Spectra , 1924, Nature.

[103]  R. W. Nicholls,et al.  Absolute oscillator strength measurements of the (υ′ = 0, υ′ = 0–3) bands of the (A2Σ-X2Π) γ-system of nitric oxide , 1972 .

[104]  Yong-ki Kim,et al.  Total Cross Sections for Inelastic Scattering of Charged Particles by Atoms and Molecules. I. A Sum Rule for the Bethe Cross Sections and Its Application to the Helium Atom , 1967 .

[105]  A. Muller.  The van der Waals Potential and the Lattice Energy of a n-CHFormula Chain Molecule in a Paraffin Crystal , 1936 .

[106]  A. T. Amos,et al.  Long-range interactions between molecules , 1976 .

[107]  B. Lewis.  Experimentally-determined oscillator strengths for molecular hydrogen—II. The Lyman and Werner bands below 900 Å, the B′-X and the D-X bands , 1974 .

[108]  W. Veigele,et al.  Photon cross sections from 0.1 keV to 1 MeV for elements Z = 1 to Z = 94* , 1973 .

[109]  H. Keller.  EPR-Spektren des monomeren (π-cyclopentadienyl)-chrom-tricarbonyl , 1968 .

[110]  S. Ogawa,et al.  Absorption Cross Sections of O2(a1Δg) and O2(X3Σg−) in the Region from 1087 to 1700 Å , 1975 .

[111]  W. S. Watson,et al.  Photoabsorption coefficients of molecular oxygen in the 400–600 Å region , 1973 .

[112]  E. Tannenbaum,et al.  The Far Ultraviolet Absorption Spectra of Simple Alkyl Amines , 1953 .

[113]  F. Weinhold.  Upper and lower bounds to the van der Waals interactions between atoms , 1969 .

[114]  D. Williams,et al.  Properties of the hydrogen molecule , 1965 .

[115]  R. W. Nicholls,et al.  Absolute spectral absorption measurements of the NO-β (B2 Π -X2 Π) band system of nitric oxide , 1971 .

[116]  Eugen Stoll.  Die Dispersion der Luft und ihrer Hauptbestandteile im Spektralintervall: 4388–9224 Å.-E. , 2022 .

[117]  R. T. Pack.  Van Der Waals force constants from non-integer oscillator strength sums☆☆☆ , 1970 .

[118]  C. Cuthbertson,et al.  On the Refraction and Dispersion of the Halogens, Halogen Acids, Ozone, Steam, Oxides of Nitrogen and Ammonia , 1914 .

[119]  W. J. Meath,et al.  The H2O-H2O dispersion energy constant and the dispersion of the specific refractivity of dilute water vapour , 1975 .

[120]  W. Parkinson,et al.  Refractivities of H_{2}, He, O_{2}, CO, and Kr for 168=?=288 nm , 1976 .

[121]  P. Wilkinson.  Refractive Dispersion of Nitrogen in the Vacuum Ultraviolet , 1960 .

[122]  John W. Hepburn,et al.  A simple but reliable method for the prediction of intermolecular potentials , 1975 .

[123]  J. Owens,et al.  Optical refractive index of air: dependence on pressure, temperature and composition. , 1967, Applied optics.

[124]  A. Dalgarno,et al.  Properties of the Helium Atom , 1957 .

[125]  R. Henry.  Photoionization Cross Sections for N and O , 1966 .

[126]  B. Bederson,et al.  Measurements of electric dipole polarizabilities of the alkali-metal atoms and the metastable noble-gas atoms , 1974 .

[127]  R. Cairns,et al.  Total Absorption Cross Sections of H 2 , N 2 , and O 2 in the Region 550–200 Å , 1965 .

[128]  H. Schmoranzer,et al.  Electronic and vibrational transition probabilities of isotopic hydrogen molecules H2, HD, and D2 based on electron energy loss spectra , 1969 .

[129]  G. A. Parker,et al.  van der Waals interactions of Π‐state linear molecules with atoms. C6 for NO(X 2Π) interactions , 1976 .

[130]  H. Margenau.  Van der Waals Potential in Helium , 1939 .

[131]  E. J. Mcguire.  Atomic Photo-Ionization Cross Sections from a Semiempirical Central Potential , 1967 .

[132]  K. Watanabe,et al.  Absorption coefficient and photoionization yield of NO in the region 580-1350 A. , 1967, Applied optics.

[133]  Max Kirn.  Die Dispersion des Wasserstoffs im Ultraviolett , 1921 .

[134]  D. Cox,et al.  K-shell photoionization cross-sections. , 1972 .

[135]  P. Kelly.  Some Analytical Self-Consistent Field Functions and Dipole Transition Matrix Elements for Nitrogen and Oxygen and Their Ions. , 1964 .

[136]  H. A. Lorentz.  Ueber die Beziehung zwischen der Fortpflanzungsgeschwindigkeit des Lichtes und der Körperdichte , 1880 .

[137]  R. J. Crispin,et al.  Intermolecular forces between large molecules , 1976 .

[138]  B. Schröder,et al.  Intensity Perturbations Due to Configuration Interaction Observed in the Electron Energy‐Loss Spectrum of N2 , 1969 .

[139]  A. Newell,et al.  Absolute Determination of Refractive Indices of Gases at 47.7 Gigahertz , 1965 .