Bibliography for BeH
  1. D. Darby-Lewis and J. Tennyson and K. D Lawson and S. N. Yurchenko and M. F Stamp and A. Shaw, "Synthetic spectra of BeH, BeD and BeT for modelling of emission from the JET", J. Phys. B At. Mol. Opt. Phys. (2018).
  2. Dattani, N. S., "Beryllium monohydride (BeH): Where we are now, after 86 years of spectroscopy", Journal of Molecular Spectroscopy 311, 76-83 (2015). [link to article][15Dattani]
  3. Brezinsek, S., Stamp, M. F., Nishijima, D., Borodin, D., Devaux, S., Krieger, K., Marsen, S., O'Mullane, M., Bjoerkas, C., Kirschner, A., JET EFDA contributors, "Study of physical and chemical assisted physical sputtering of beryllium in the JET ITER-like wall", Nuclear Fusion 54, 103001 (2014). [link to article][14BrStNi.BeH]
  4. Yadin, B., Veness, T., Conti, P., Hill, C., Yurchenko, S. N., Tennyson, J., "ExoMol line lists – I. The rovibrational spectrum of BeH, MgH and CaH in the X2Σ+ state", Monthly Notices of the Royal Astronomical Society 425, 34-43 (2012). [link to article][12YaVeCo.XH]
  5. Koput, J., "The ab initio ground-state potential energy function of beryllium monohydride, BeH", Journal of Chemical Physics 135 (2011). [link to article][01Koput.BeH]
  6. Pitarch-Ruiz, J., Sanchez-Marin, J., Velasco, A. M., Martin, I., "Full configuration interaction calculation of BeH adiabatic states", Journal of Chemical Physics 129, 054310 (2008). [link to article][08PiSaVe.BeH]
  7. Velasco, A. M., Lavin, C., Martin, I., Pitarch-Ruiz, J., Sanchez-Marin, J., "Theoretical study of the discrete and continuum spectrum of BeH", Chemical Physics Letters 462, 344-347 (2008). [link to article][08VeLaMa.BeH]
  8. Goel, S., Masunov, A. E., "Potential energy curves and electronic structure of 3d transition metal hydrides and their cations", Journal of Chemical Physics 129, 214302 (2008). [link to article][08GoMaxx.TiH]
  9. Shanmugavel, R., Bagare, S. P., Rajamanickam, N., Kumar Balachandra, K., "Identification of beryllium hydride isotopomer lines in sunspot umbral spectra", Serbian Astronomical Journal 176, 51-58 (2008). [link to article][08ShBaRa.BeH]
  10. Bubin, S., Adamowicz, L., "Calculations of the ground states of BeH and BeH+ without the Born-Oppenheimer approximation", Journal of Chemical Physics 126, 214305 (2007). [link to article][07BuAdxx.BeH]
  11. Le Roy, R. J., Appadoo, D. R. T., Colin, R., Bernath, P. F., "On the X 2Σ+, A 2Π, and C 2Σ+ states of BeH, BeD, and BeT", Journal of Molecular Spectroscopy 236, 178-188 (2006). [link to article][06LeApCo.BeH]
  12. Corongiu, G., "Hartree-Fock-Heitler-London method. 2. First and second row diatomic hydrides", Journal of Physical Chemistry A 110, 11584-11598 (2006). [link to article][06Corongiu.BeH]
  13. Klein, R. A., Zottola, M. A., "Corrigendum and Addendum to "Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides. BeH and BeH2" (vol 419, pg 254, 2006)", Chemical Physics Letters 421, 595-596 (2006). [link to article][06KlZox1.BeH]
  14. Klein, R. A., Zottola, M. A., "Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides: The case against a De Facto standard", Chemical Physics Letters 419, 254-258 (2006). [link to article][06KlZoxx.BeH]
  15. Shanmugavel, R., Bagare, S. P., Rajamanickam, N., "Astrophysically useful parameters for certain band systems of BeH, BeD and BeT molecules", Serbian Astronomical Journal 173, 83-87 (2006). [link to article][06ShBaRa.BeH]
  16. Glushkov, V. N., Wilson, S., "Distributed Gaussian basis sets: Variationally optimized s-type sets for the open-shell systems HeH and BeH", International Journal of Quantum Chemistry 99, 903-913 (2004). [link to article][04GlWixx.BeH]
  17. Quiney, H. M., Glushkov, V. N., Wilson, S., "The Dirac equation in the algebraic approximation. IX. Matrix Dirac-Hartree-Fock calculations for the HeH and BeH ground states using distributed Gaussian basis sets", International Journal of Quantum Chemistry 99, 950-962 (2004). [link to article][04QuGlWi.BeH]
  18. Shayesteh, A., Tereszchuk, K., Bernath, P. F., Colin, R., "Infrared emission spectra of BeH and BeD", Journal of Chemical Physics 118, 1158-1161 (2003). [link to article][03ShTeBe.BeH]
  19. Bruna, P. J., Grein, F., "Hyperfine coupling constants electron-spin g-factors and vertical spectra of the X 2Σ+ radicals BeH, MgH, CaH and BZ+, AlZ+, GaZ+ (Z = H, Li, Na, K). A theoretical study", Physical Chemistry Chemical Physics 5, 3140-3153 (2003). [link to article][03BrGrxx.BeH]
  20. Magnusson, E., Petrie, S., "Classical versus nonclassical covalent bonding between the metal hydride radicals MH and MHj (MH: HBe, HMg, HCa; MHj: Li, BeH, BH2, Na, MgH, AlH2, K, CaH, GaH2)", Journal of Physical Chemistry A 107, 6882-6890 (2003). [link to article][03MaPexx.CaH]
  21. Fulscher, M. P., Serrano-Andres, L., "Quasi diabatic CASSCF state functions", Molecular Physics 100, 903-909 (2002). [link to article][02FuSexx.BeH]
  22. Pollet, R., Savin, A., Leininger, T., Stoll, H., "Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules", Journal of Chemical Physics 116, 1250-1258 (2002). [link to article][02PoAvLe.BeH]
  23. Martinazzo, R., Famulari, A., Raimondi, M., Bodo, E., Gianturco, F. A., "A multireference valence bond approach to electronic excited states", Journal of Chemical Physics 115, 2917-2925 (2001). [link to article][01MaFaRa.BeH]
  24. Bruna, P. J., Grein, F., "Electron-spin magnetic moment (g Factor) of X 2Σ+ diatomic radicals MX± withnine valence electrons (M = Be, B, Mg, Al; X = N, O, F, P, S, Cl). An ab initio study", Journal of Physical Chemistry A 105, 3328-3339 (2001). [link to article][01BrGrxx.AlO]
  25. Meissner, H., Paldus, J., "Direct iterative solution of the generalized bloch equation. IV. Application to H2, LiH, BeH, and CH2", Journal of Chemical Physics 113, 2622-2637 (2000). [link to article][00MePaxx.BeH]
  26. Guan, J., Casida, M. E., Salahub, D. R., "Time-dependent density-functional theory investigation of excitation spectra of open-shell molecules", Journal of Molecular Structure: THEOCHEM 527, 229-244 (2000). [link to article][00GuCaSa.BeH]
  27. Szalay, P. G., Gauss, J., "Spin-restricted open-shell coupled-cluster theory for excited states", Journal of Chemical Physics 112, 4027-4036 (2000). [link to article][00SzGaxx.BeH]
  28. Wenthold, P. G., "A computational study of the hydride affinities of Group I and Group II metals", International Journal of Mass Spectrometry 195, 319-325 (2000). [link to article][00Wenthold.BeH]
  29. Petsalakis, I. D., Papadopoulos, D., Theodorakopoulos, G., Buenker, R. J., "Theoretical calculations on the linewidths of rovibrational levels of the 3d Rydberg states of BeH and BeD", Journal of Physics B: Atomic, Molecular and Optical Physics 32, 3225-3237 (1999). [link to article][99PePaTh.BeH]
  30. Fast, P. L., Sanchez, M. L., Corchado, J. C., Truhlar, D. G., "The Gaussian-2 method with proper dissociation, improved accuracy, and less cost", Journal of Chemical Physics 110, 11679-11681 (1999). [link to article][99FaSaCo.BeH]
  31. Machado, F. B. C., Roberto-Neto, O., Ornellas, F. R., "Radiative transition probabilities and lifetimes for the band systems A 2Π - X 2Σ+ and C 2Σ+ - X 2Σ+ of the BeH molecule", Chemical Physics Letters 305, 156-162 (1999). [link to article][99MaRoOr.BeH]
  32. Bacchus-Montabonel, M. C., Talbi, D., "A theoretical treatment of the LiH and BeH formation through radiative association", Journal of Molecular Structure: THEOCHEM 463, 91-97 (1999). [link to article][99BaTaxx.BeH]
  33. Nakajima, T., Nakatsuji, H., "Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC-CI (configuration interaction) method", Chemical Physics 242, 177-193 (1999). [link to article][99NaNaxx.BeH]
  34. Hirata, S., Head-Gordon, M., "Time-dependent density functional theory for radicals - An improved description of excited states with substantial double excitation character", Chemical Physics Letters 302, 375-382 (1999). [link to article][99HiHexx.BeH]
  35. Nakajima, T., Nakatsuji, H., "Second-order perturbative approximation to the SAC/SAC-CI method", Chemical Physics Letters 300, 1-8 (1999). [link to article][99NaNax1.BeH]
  36. Hefferlin, R., Kuznetsova, L. A., "Systematics of diatomic molecular transition moments", Journal of Quantitative Spectroscopy and Radiative Transfer 62, 765-774 (1999). [link to article][99HeKuxx.CaH]
  37. Martin, J. M. L., "Benchmark ab initio potential curves for the light diatomic hydrides. Unusually large nonadiabatic effects in BeH and BH", Chemical Physics Letters 283, 283-293 (1998). [link to article][98Martin.BeH]
  38. Focsa, C., Firth, S., Bernath, P. F., Colin, R., "Fourier transform emission spectroscopy of the A 2Π - X 2Σ+ system of BeH", Journal of Chemical Physics 109, 5795-5802 (1998). [link to article][98FoFiBe.BeH]
  39. Focsa, C., Bernath, P. F., Mitzner, R., Colin, R., "Fourier transform emission spectroscopy of the A 2Π - X 2Σ+ transition of BeD", Journal of Molecular Spectroscopy 192, 348-358 (1998). [link to article][98FoBeMi.BeH]
  40. Duxbury, G., Stamp, M. F., Summers, H. P., "Observations and modelling of diatomic molecular spectra from JET", Plasma Physics and Controlled Fusion 40, 361-370 (1998). [link to article][98DuStSu.BeH]
  41. Machado, F. B. C., Roberto-Neto, O., Ornellas, F. R., "On the assignment of transitions involving some 2Π Rydberg states of the BeH molecule", Chemical Physics Letters 284, 293-299 (1998). [link to article][98MaRoOr.BeH]
  42. Kobayashi, T., Sasagane, K., Yamaguchi, K., "Calculation of frequency-dependent polarizabilities for open-shell systems at the second-order Moller-Plesset perturbation theory level based on the quasi-energy derivative method", International Journal of Quantum Chemistry 65, 665-677 (1997). [link to article][97KoSaYa.BeH]
  43. Petsalakis, I. D., Buenker, R. J., Hirsch, G., Theodorakopoulos, G., "Predissociation widths and lifetimes of the n = 3 2Σ+ states of BeH and BeD", Journal of Physics B: Atomic, Molecular and Optical Physics 30, 4935-4941 (1997). [link to article][97PeBuHi.BeH]
  44. Glushkov, V. N., "Asymptotic method of building restricted open-shell wavefunctions satisfying the generalized Brillouin's theorem", Chemical Physics Letters 273, 122-128 (1997). [link to article][97Glushkov.BeH]
  45. Martin, J. M. L., "Benchmark ab initio calculations of the total atomization energies of the first-row hydrides AHn (A=Li - F)", Chemical Physics Letters 273, 98-106 (1997). [link to article][97Martin.BeH]
  46. Luchow, A., Anderson, J. B., "First-row hydrides: Dissociation and ground state energies using quantum Monte Carlo", Journal of Chemical Physics 105, 7573-7578 (1996). [link to article][96LuAnxx.BeH]
  47. Fiser, J., Vojtik, J., "Nuclear quadrupole coupling constants of BeH, BeH+ and BeH-: ab initio study of their rovibrational dependence", Chemical Physics 205, 351-358 (1996). [link to article][96FiVoxx.BeH]
  48. Cooper, D. I., Ponec, R., Thorsteinsson, T.. Raos, G., "Pair populations and effective valencies from ab initio SCF and spin-coupled wave functions", International Journal of Quantum Chemistry 57, 501-518 (1996). [link to article][96CoPoTh.BeH]
  49. Lushington, G. H., Bruna, P. J., Grein, F., "Ab initio calculations of electron-spin magnetic moments for Li, Be and B hydrides in X 2Σ+ states", Zeitschrift fur Physik D 36, 301-309 (1996). [link to article][96LuBrGr.BeH]
  50. Glushkov, V. N., "On a choice of multireference space in many-body perturbation theory", Chemical Physics Letters 244, 1-9 (1995). [link to article][95Glushkov.BeH]
  51. Polasek, M., Zahradnik, R., "A quantum chemical study of small beryllium hydrides and their radical anions", International Journal of Quantum Chemistry 54, 93-98 (1995). [link to article][95PoZaxx.BeH]
  52. Li, X. Z., Paldus, J., "Spin‐adapted open‐shell state‐selective coupled cluster approach and doublet stability of its Hartree–Fock reference", Journal of Chemical Physics 102, 2013-2023 (1995). [link to article][95LiPaxx.BeH]
  53. Fernandez, B., Jorgensen, P., "Evaluation of hyperfine coupling tensors of the BeH and BeF radicals", Chemical Physics Letters 232, 463-471 (1995). [link to article][95FeJoxx.BeH]
  54. Tague, T. J., Andrews, L., "Reactions of beryllium atoms with hydrogen. Matrix infrared spectra of novel product molecules", Journal of the American Chemical Society 115, 12111-12116 (1993). [link to article][93TaAnxx.BeH]
  55. Sauer, S. P. A., Enevoldsen, T., Oddershede, J., "Paramagnetism of closed shell diatomic hydrides with six valence electrons", Journal of Chemical Physics 98, 9748-9757 (1993). [link to article][93SaEnOd.AlH]
  56. Petsalakis, I. D., Theodorakopoulos, G., Nicolaides, C. A., "Adiabatic and quasidiabatic 2Σ+ states of BeH", Journal of Chemical Physics 97, 7623-7628 (1992). [link to article][92PeThNi.BeH]
  57. Cantarella, E., Culot, F., Lievin, J., "Ab initio calculation of vibrational dipole moment matrix elements. I. Methods of calculation and diatomic test systems", Physica Scripta 46, 489-501 (1992). [link to article][92CaCuLi.BeH]
  58. Chang, T. C., "Pauli repulsion in the open shell species BeH and Co+", Journal of Computational Chemistry 13, 268-274 (1992). [link to article][92Chang.BeH]
  59. Gadea, F. X., Zaitsevskii, A. V., "Variational Ansatz for effective Hamiltonians: solution of convergence problem via the intermediate Hamiltonian approach", Chemical Physics Letters 191, 77-81 (1992). [link to article][92GaZaxx.BeH]
  60. Clerbaux, C., Colin, R., "The 3d Rydberg state of the BeH molecule", Molecular Physics 72, 471-486 (1991). [link to article][91ClCoxx.BeH]
  61. Ishida, K., "Spin and charge densities from the Hiller—Sucher—Feinberg identity: double-perturbation calculations for BeH", Chemical Physics Letters 175, 133-137 (1990). [link to article][90Ishida.BeH]
  62. Martin, J. M. L., Francois, J. P., Gijbels, R., "Combined bond-polarization basis sets for accurate determination of dissociation energies. Part 5: Accurate ab initio predictions of the dissociation energy and heat of formation of first-row hydrides", Chemical Physics Letters 163, 387-391 (1989). [link to article][89MaFrGi.BeH]
  63. Frank, A., Lemus, R., Iachello, F., "Algebraic approach to molecular electronic spectra. I. Energy levels", Journal of Chemical Physics 91, 29-41 (1989). [link to article][89FrLeIa.BeH]
  64. Ishida, K., "Spin and charge densities from the Hiller-Sucher-Feinberg identity: H2 and BeH", Chemical Physics Letters 158, 217-221 (1989). [link to article][89Ishida.BeH]
  65. Laaksonen, L., Mullerplathe, F., Diercksen, G. H. F., "Fully numerical restricted Hartree–Fock calculations on open‐shell hydrides: On the basis‐set truncation error", Journal of Chemical Physics 89, 4903-4908 (1988). [link to article][88LaMuDi.BeH]
  66. Richman, K. W., Shi, Z. G., Mccullough, E. A., "Calculation of the hyperfine splitting constants for diatomic molecules using numerical wavefunctions", Chemical Physics Letters 141, 186-192 (1987). [link to article][87RiShMc.BeH]
  67. Fuentealba, P., Reyes, O., Stoll, H., Preuss, H., "Ground state properties of alkali and alkaline–earth hydrides", Journal of Chemical Physics 87, 5338-5345 (1987). [link to article][97FuReSt.BeH]
  68. Henriet, C., Verhaegen, G., "Accurate calculation of the excited states of the molecule BeH", Physica Scripta 33, 299-309 (1986). [link to article][86HeVexx.BeH]
  69. Bishop, D. M., Pipin, J., Lam, B., "Field and field-gradient polarizabilities of BeH, BH and CH+", Chemical Physics Letters 127, 377-380 (1986). [link to article][86BiPiLa.BeH]
  70. Larsson, M., "Ab-initio calculated infrared transition probabilities, dipole moments and spectroscopic constants for the X 2Σ+ state of BeH", Physica Scripta 32, 97-102 (1985). [link to article][85Larsson.BeH]
  71. Sekino, H., Bartlett, R. J., "Spin density of radicals by finite field many‐body methods", Journal of Chemical Physics 82, 4225-4229 (1985). [link to article][85SeBaxx.BeH]
  72. Cooper, D. L., "Theoretical investigation of the X 2Σ+ and C 2Σ+ states of BeH", Journal of Chemical Physics 80, 1961-1963 (1984). [link to article][83Cooper.BeH]
  73. Larsson, M., "On the possibility of a potential barrier in the ground state of BeH", Journal of Chemical Physics 81, 6409-6410 (1984). [link to article][84Larsson.BeH]
  74. Bird, S., Claxton, T. A., "Orbitally ordered configuration-interaction calculations on small radicals. NH2 and BeH", Journal of the Chemical Society, Faraday Transactions 2 80, 851-860 (1984). [link to article][84BiClxx.BeH]
  75. Henriet, C., Verhaegen, G., "Valence and Rydberg states of the BeH molecule", Journal of Molecular Structure: THEOCHEM 16, 63-73 (1984). [link to article][84HeVexx.BeH]
  76. Ellison, F. O., Chen, C., "Generalization of atoms‐in‐molecules theory to include independent scaling of inner and outer shells", Journal of Chemical Physics, 5855-5863 (1984). [link to article][84ElChxx.BeH]
  77. Colin, R., Dreze, C., Steinhauer, M., "Rotational analysis and deperturbation of the C 2Σ+ – X 2Σ+ band systems of BeH and BeD", Canadian Journal of Physics 61, 641-655 (1983). [link to article][83CoDrSt.BeH]
  78. Stephens, M. E., Becker, P. J., "Virial partitioning analysis of electron correlation and nuclear motion in diatomic molecules", Molecular Physics 49, 65-89 (1983). [link to article][83StBexx.BeH]
  79. Colin, R., Steinhauer, M., "The 3d-4s molecular-complex of beryllium monohydride", Bulletin des Sociétés Chimiques Belges 92, 507 (1983).[83CoStxx.BeH]
  80. Kvasnicka, V., Biskupic, S., Laurinc, V., "Diagrammatic non-degenerate RSPT for evaluation of ground-state energy of simple open-shell molecular systems", Molecular Physics 42, 1345-1353 (1981). [link to article][81KvBiLa.BeH]
  81. Claxton, T. A., Tino, J., Burtons, B., Klimo, V., "Further study of the BeH radical by UHF-type and configuration interaction methods", Journal of the Chemical Society, Faraday Transactions 2 76, 1655-1663 (1980). [link to article][80ClTiBu.BeH]
  82. Gerratt, J., Raimondi, M., "The spin-coupled valence bond theory of molecular electronic structure. I. Basic theory and application to the 2Σ+ states of BeH", Proceedings of the Royal Society of London A 371, 525-552 (1980). [link to article][80GeRaxx.BeH]
  83. Rosmus, P., Werner, H. J., "Einstein transition-probability coefficients in the electronic ground states of the diatomic hydrides", Journal of Molecular Structure 60, 405-408 (1980). [link to article][80RoWexx.AlH]
  84. Tino, J., Klimo, V., Claxton, T. A., Burton, B., "Study of the BeH radical by UHF-type and complete configuration interaction methods", Journal of the Chemical Society, Faraday Transactions 2 75, 1307-1312 (1979). [link to article][79TiKlCl.BeH]
  85. Klynning, L., Martin, H., "Ionic bonds in the droup IIA hydrides", Physica Scripta 20, 594-598 (1979). [link to article][79KlMaxx.CaH]
  86. Lefebvrebrion, H., Colin, R., "Anomalous isotope effects in indirect predissociations: An example in the spectrum of BeH", Journal of Molecular Spectroscopy 65, 33-45 (1977). [link to article][77LeCoxx.BeH]
  87. Rackwitz, R., Feldmann, D., Kaiser, H. J., Heinicke, E., "Photodetachment bei einigen zweiatomigen negativen Hydridionen: BeH, MgH-, CaH-, ZnH-, PH-, AsH- / Photodetachment of some diatomic negative hydride ions BeH-, MgH-, CaH-, ZnH-, PH-, AsH-", Zeitschrift für Naturforschung A 32, 594-599 (1977). [link to article][77RaFeKa.CaH]
  88. Colin, R., De Greef, D., "The absorption spectrum of the BeH and BeD molecules in the vacuum ultraviolet", Canadian Journal of Physics 53, 2142-2169 (1975). [link to article][75CoDexx.BeH]
  89. Meyer, W., Rosmus, P., "PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first‐row and second‐row diatomic hydrides", Journal of Chemical Physics 63, 2356-2375 (1975). [link to article][75MeRoxx.AlH]
  90. De Greef, D., Colin, R., "The electronic isotope shift in the A 2Π - X + bands of BeH, BeD and BeT", Journal of Molecular Spectroscopy 53, 455-465 (1974). [link to article][74DeCoxx.BeH]
  91. Colin, R., De Greef, D., Goethals, P., Verhaege, G., "The ionization potential of the BeH molecule", Chemical Physics Letters 25, 70-73 (1974). [link to article][74CoDeGo.BeH]
  92. Bagus, P. S., Moser, C. M., Goethals, P., Verhaege, G., "Accurate ab initio calculation of the BeH molecule. I. The X 2Σ+ and A 2Π states", Journal of Chemical Physics 58, 1886-1897 (1973). [link to article][72BaMoGo.BeH]
  93. Wöhl, H., "On molecules in sunspots", Solar Physics 16, 362-372 (1971). [link to article][71Wöhl.BeH]
  94. Popkie, H. E., "Theoretical electronic transition probabilities in diatomic molecules. III BeH and MgH ( A 2Π– X 2Σ+) systems", Journal of Chemical Physics 54, 4597 (1971). [link to article][71Popkie.MgH]
  95. Chan, A. C. H., Davidson, E. R., "Theoretical study of the BeH molecule", Journal of Chemical Physics 49, 727 (1968). [link to article][68ChDaxx.BeH]

The ExoMol bibliometrician is Olga Yurchenko