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Publications (Original papers)

  1. Akira Yoshida, Minori Abe, and Masahiko Hada, “Density Functional Study on Compounds to Accelerate Electron Capture Decay of 7Be”, J. Phys. Chem. A, accepted, 2021.

  2. Ataru Sato, Rizlan Bernier-Latmani, Masahiko Hada, Minori Abe, “Ab initio and steady-state models for uranium isotope fractionation in multi-step biotic and abiotic reduction”, Geochim. Cosmochim.Acta, 307, 212-227, 2021. DOI: 10.1016/j.gca.2021.05.044

  3. Salmahaminati, Abe, M, Purnama, I, Mulyana, JY. Hada, M, “Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands”, ACS OMEGA, 6 (1), P.55-64, JAN 2021.

  4. R. Mitra, V. S. Prasannaa, B. K. Sahoo, N. R. Hutzler, M. Abe, B. P. Das, “Study of HgOH to Assess Its Suitability for Electron Electric Dipole Moment Searches”, ATOMS, 9(1), 7, 2021. DOI: 10.3390/atoms9010007.

  5. Abe, M., Tsutsui, T., Ekman, J., Hada, M., Das, B., “Accurate determination of the enhancement factor X for the nuclear Schiff moment in 205TlF molecule based on the four-component relativistic coupled-cluster theory”,  Molecular Physics, 118 Issue: 23, e1767814, 2020. DOI:10.1080/00268976.2020.1767814

  6. Prasannaa, V. Srinivasa; Sahoo, Bijaya K.; Abe, Minori; et al. ”Significance of Non-Linear Terms in the Relativistic Coupled-Cluster Theory in the Determination of Molecular Properties”, SYMMETRY-BASEL   Volume: ‏ 12 Issue: ‏ 5  Published: ‏ MAY 2020

  7. Kajita, M., Bala, R., Abe, M., “Attainable accuracies of QH+ rotational transition frequencies (Q: 40Ca, 24Mg, 202Hg)”, Journal of Physics B: Atomic, Molecular and Optical Physics, 53 (8), art. no. 085401, 2020.

  8. Sunaga A, Abe M, Prasannaa VS, Aoki T, Hada M, “Relativistic coupled-cluster study of diatomic metal-alkali-metal molecules for electron electric dipole moment searches”, J. Phys. B At. Mol. Opt. Phys. 53 15102 - 15102-11 Dec, 2019.

  9. Narayanan, Radhika; Nakada, Marisa; Abe, Minori; et al. “C-13 and Pb-207 NMR Chemical Shifts of Dirhodio- and Dilithioplumbole Complexes: A Quantum Chemical Assessment”, INORGANIC CHEMISTRY Volume: ‏ 58   Issue: ‏ 21   Pages: ‏ 14708-14719   Published: ‏ NOV 4 2019

  10. Masaichi Saito, Marisa Nakada, Takuya Kuwabara, Ryota Owada, Shunsuke Furukawa, Radhika Narayanan, Minori Abe, Masahiko Hada, Ken Tanaka, Yoshihiko Yamamoto, “Inverted Sandwich Rh Complex Bearing a Plumbole Ligand and Its Catalytic Activity”, Organometalics, accepted, 2019.

  11. V. S. Prasannaa, N. Shitara, A. Sakurai, M. Abe, B. P. Das “Enhanced sensitivity of the electron electric dipole moment from YbOH: The role of theory” Phys. Rev. A, 99, 062502, 2019.

  12. V. S. Prasannaa, A. Sunaga, M. Abe, M. Hada, N. Shitara, A. Sakurai and B. P. Das, “The Role of Relativistic Many-Body Theory in Electron Electric Dipole Moment Searches Using Cold Molecules” Atoms, 7(2), 58, 2019.

  13. N. M. Fazil, V. S. Prasannaa, K. V. P. Latha, M. Abe, and B. P. Das, “RaH as a potential candidate for electron electric dipole moment searches”, Phys. Rev. A, (IF:2.777) 99, 052502, 2019.

  14. A. Sunaga, M. Abe, M. Hada B. P. Das, V. S. Prasannaa, “ Merits of heavy-heavy diatomic molecules for electron electric dipole moment searches”, Phys. Rev. A, accepted, 2019.

  15. A. Sunaga, V. S. Prasannaa, M. Abe, M. Hada, and B. P. Das, “Ultracold mercury–alkali-metal molecules for electron-electric-dipole-moment searches” Phys. Rev. A 99, 040501(R), 2019. DOI:https://doi.org/10.1103/PhysRevA.99.040501

  16. Indra Purnama, Salmahaminati, Minori Abe, Masahiko Hada, Yuji Kubo, and Jacob Yan Mulyana, “Factors influencing the photoelectrochemical device performance sensitized by ruthenium polypyridyl dyes”, Dalton Trans., 48, 688-695, 2019. DOI: 10.1039/C8DT03502D 

  17. Renu Bala, Nataraj Huliyar S., Minori Abe, Masatoshi Kajita, “Calculations of electronic properties and vibrational parameters of alkaline-earth lithides: MgLi+ and CaLi+”, Molecular Physics,　117, 712-725, 2018.　https://doi.org/10.1080/00268976.2018.1539258

  18. A. Sunaga, M. Abe, M. Hada B. P. Das, V. S. Prasannaa, “Analysis of enhancement factors of parity- and time-reversal-violating effects for monofluorides”, Phys. Rev. A, accepted, 2018.

  19. N. M. Fazil, V. S. Prasannaa, K. V. P. Latha, M. Abe, and B. P. Das, “Electron correlation trends in the permanent electric dipole moments of alkaline earth metal monohydrides”, Phys. Rev. A, accepted, 2018.

  20. Renu Bala, H.S. Nataraj, Minori Abe, Masatoshi Kajita. “Accurate ab initio calculations of spectroscopic constants and properties of BeLi+” Journal of Molecular Spectroscopy, in press, 2018. DOI: 10.1016/j.jms.2018.03.013                    

  21. M. Abe, V. S. Prasannaa, and B. P. Das. “Application of the finite-field coupled-cluster method to calculate molecular properties relevant to electron electric-dipole-moment searches” Phys. Rev. A 97, 032515, 2018. (9 pages) DOI: /10.1103/PhysRevA.97.032515     

  22. V. S. Prasannaa, M. Abe, V. M. Bannur, B. P. Das. “Theoretical analysis of effective electric fields in mercury monohalides “, Phys. Rev. A, 95, 042513, 2017.(6pages) DOI: 10.1103/PhysRevA.95.042513          

  23. V. S. Prasannaa, M. Abe, B. P. Das. “The role of molecular electric dipole moments of mercury monohalides in the search for the electron electric dipole moment “, Asian Journal of Physics, 25, No 10, pp.1259-1266, 2016.

  24. A. Sunaga, M. Abe, M. Hada, B. P Das. “Analysis of large effective electric fields of weakly polar molecules for electron electric-dipole-moment searches “, Phys. Rev. A 95, 012502 (2017). DOI: 10.1103/PhysRevA.95.012502              

  25. V. S. Prasannaa, S. Sreerekha, M. Abe, V. M. Bannur, and B. P. Das. “Permanent electric dipole moments of alkaline-earth-metal monofluorides: Interplay of relativistic and correlation effects”, Physical Review A 93, 042504 (2016) 

  26. Y. Imafuku, M. Abe, M. W. Schmidt, and M. Hada, “Heavy Element Effects in the Diagonal Born-Oppenheimer Correction within a Relativistic Spin-free Hamiltonian”, Journal of Physical Chemistry A, 120, 2150 (2016)                                  

  27. A. Sunaga, M. Abe, M. Hada, B. P Das. “Relativistic coupled-cluster calculation of the electron-nucleus scalar-pseudoscalar interaction constant Ws in YbF“, Phys. Rev. A 93, 042507 (2016). DOI: 10.1103/PhysRevA.93.042507              

  28. V. S. Prasannaa, A. C. Vutha, M. Abe, and B. P. Das “Mercury Monohalides: Suitability for Electron Electric Dipole Moment Searches”, Phys. Rev. Lett. 114, 183001 (2015). DOI: 10.1103/PhysRevLett.114.183001.       

  29. K. Nemoto, M. Abe, J. Seino, and M. Hada “An Ab Initio Study of Nuclear Volume Effects for Isotope Fractionations Using Two-Component Relativistic Methods”, J. of Comp. Chem. 36, 816–820, (2015). DOI: 10.1002/jcc.23858.          

  30. M. Kajita, G. Gopakumar, M. Abe, M. Hada, and M. Keller, “Test of mp/me changes using vibrational transitions in N2+“ Phys. Rev. A 89(3), 032509 (1-6) (2014). (DOI:10.1103/PhysRevA.89.032509)     

  31. S. Prasannaa, M. Abe, and B. P. Das “Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method”, Phys. Rev. A. 90, 052507 (2014).                                                               

  32. M. Abe, G. Gopakumar, M. Hada, B. P. Das, H. Tatewaki, D. Mukherjee, “Application of a Relativistic Coupled-Cluster Theory to the Effective Electric Field in YbF”, Phys. Rev. A. 90, 022501, (2014)                                                               

  33. Y. Imafuku, M. Abe, M. W. Schmidt, and M. Hada, “Diagonal Born-Oppenheimer Correction Based on Spin-Free Relativistic Hamiltonians”, J. Comp. Chem. Jpn. vol. 13, No.4,  pp. 229-232 (2014)                                                    

  34. G. Gopakumar, M. Abe, M. Hada, and M. Kajita, “Dipole polarizability of alkali-metal (Na, K, Rb)–alkaline-earth-metal (Ca, Sr) polar molecules: Prospects for alignment” J. Chem. Phys. 140, 224303 (2014).                                      

  35. T. Kawamura, M. Abe, M. Saito, M. Hada, “Quantum-chemical analyses of aromaticity, UV spectra, and NMR chemical shifts in plumbacyclopentadienylidenes stabilized by Lewis bases” Journal of Computational Chemistry 35(11), 847-853 (2014).                            

  36. M. Kajita, G. Gopakumar, M. Abe, M. Hada, “Characterizing of variation in the proton-to-electron mass ratio via precise measurements of molecular vibrational transition frequencies” J. Mol. Spect. 300, Pages 99–107 (2014) (DOI: 10.1016/j.jms.2014.03.009).                    

  37. M. Saito, T. Akiba, M. Kaneko, T. Kawamura, M. Abe, M. Hada, M. Minoura, “Synthesis, structure, and reactivity of Lewis base stabilized plumbacyclopentadienylidenes”, Chemistry (Weinheim an der Bergstrasse, Germany) (2013), 19(50), 16946-53,                               

  38. G. Gopakumar, M. Abe, M. Hada, and M. Kajita,” Ab initio study of ground and excited states of 6Li40Ca and 6Li88Sr molecules” J. Chem. Phys. 138, 194307 (2013) (14 pages).                                     

  39. Fujii, T., Moynier, F., Abe, M., Nemoto, K., Albarède, F., 2012. “Copper isotope fractionation between aqueous compounds relevant to low temperature geochemistry and biology”. Geochim. Cosmochim. Acta, 110, 29-44 (2013)   

  40. M. Kajita, G. Gopakumar, M. Abe, and M. Hada, “Sensitivity of vibrational spectroscopy of optically trapped SrLi and CaLi molecules to variations in mp/me” J. Phys. B: At. Mol. Opt. Phys. 46 (2013) 025001 (5pp).                            

  41. T. Fujii, F, Moynier, A. Agranier, E. Ponzevera, M. Abe, A. Uehara, and H. Yamana, “Nuclear field shift effect in isotope fractionation of thallium” Journal of Radioanalytical and Nuclear Chemistry, 296, 261-265 (2013)                                      

  42. M. Kajita, and M. Abe, “Frequency uncertainty estimation for the 40CaH⁺ vibrational transition frequencies observed by Raman excitation” J. Phys. B: At. Mol. Opt. Phys. 45 (2012) 185401 (5pp)

  43. M. Kajita, G. Gopakumar, M. Abe, and M. Hada, “Accuracy estimations of overtone vibrational transition frequencies of optically trapped 174Yb6Li molecules” Physical Review A, 85, 062519 (8 pages) (2012).                                       

  44. M. Abe, Y. Moriwaki, M. Hada, and M. Kajita, “Ab initio study on potential energy curves of electronic ground and excited states of 40CaH+ molecule” Chem. Phys. Letters, 521, pp31-35, (2012).        

  45. G. Gopakumar, M. Abe, M. Kajita, and M. Hada, “Ab initio study of permanent electric dipole moment and radiative lifetimes of alkali-earth-Li molecules” Physical Review A, 84, 062514 (7 pages) (2011).                                                                

  46. G. Gopakumar, M. Kajita, M. Abe, and M. Hada “Magnetic-field effects in transitions of X Li molecules (X: even isotopes of group II atoms”, Phys. Rev. A 84 , 045401 (2011).

  47. M. Kajita, G. Gopakumar, M. Abe, and M. Hada “Elimination of the Stark shift from the vibrational transition frequency of optically trapped 174Yb6Li molecules”, Phys. Rev. A 84, 022507 (2011).       

  48. T. Fujii, F. Moynier, N. Dauphas, and M. Abe, “Theoretical and Experimental Investigation of Nickel Isotopic Fractionation in Species Relevant to Modern and Ancient Oceans”, Geochim. Cosmochim. Acta, 75, 469, 2011.         

  49. M. Kajita, M. Abe, M. Hada, and Y. Moriwaki “Estimated accuracies of pure XH+ (X: even isotopes of group II atoms) vibrational transition frequencies: towards the test of the variance in mp/me”, J. Phys. B: At. Mol. Opt. Phys. 44, 025402, 2011.                                  

  50. M. Abe, M. Kajita, M. Hada, and Y. Moriwaki “Ab initio study on vibrational dipole moments of XH+ molecular ions: X = 24Mg, 40Ca, 64Zn, 88Sr, 114Cd, 138Ba, 174Yb and 202Hg”, J. Phys. B: At. Mol. Opt. Phys. 43, 245102, 2010.                

  51. G. Gopakumar, M. Abe, B. P. Das, M. Hada, and K. Hirao, “Relativistic calculations of ground and excited states of LiYb molecule for ultracold photo association spectroscopy studies”, J. Chem. Phys., 133, 124317, 2010.          

  52. M. Abe, T. Suzuki, Y. Fujii, M. Hada, and K. Hirao , “Ligand effect on uranium isotope fractionations caused by nuclear volume effects: an ab initio relativistic molecular orbital study”, J. Chem. Phys., 133, 044309, 2010.

  53. M. Abe, T. Suzuki, Y. Fujii, M. Hada, and K. Hirao , “Erratum: “An ab initio molecular orbital study of the nuclear volume effects in uranium isotope fractionations”, J. Chem. Phys. 129, 164309 (2008) ]”, J. Chem. Phys., 132, 119902, 2010.

  54. T. Fujii, F. Moynier, P. Telouk and M. Abe, “Experimental and Theoretical Investigation of Isotope Fractionation of Zinc between Aqua, Chloro, and Macrocyclic Complexes”, J. Phys. Chem. A, 114 (7), 2543, 2010.                                     

  55. T. Fujii, F. Moynier, A. Uehara, M. Abe, Q-Z. Yin, T. Nagai, H. Yamana, “"Mass-Dependent and Mass-Independent Isotope Effects of Zinc in a Redox Reaction", J. Phys. Chem. A. 113(44), 12225, 2009.                                                                

  56. M. Abe, T. Suzuki, Y. Fujii, M. Hada, and K. Hirao , “An ab initio molecular orbital study of the nuclear volume effects in uranium isotope fractionations”, J. Chem. Phys. 129, 164309, 2008.

  57. M. Abe, T. Suzuki, Y. Fujii, and M. Hada, “An ab initio study based on a finite nucleus model for isotope fractionation in the U(III)–U(IV) exchange reaction system”, J. Chem. Phys. 128, 144309, 2008.        

  58. M. Abe, T. Nakajima, and K. Hirao, “The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian”, J. Chem. Phys. 125, 234110, 2006.                                 

  59. M. Abe, S. Mori, T. Nakajima, and K. Hirao, “Electronic structures of PtCu, PtAg, and PtAu molecules: a Dirac four-component relativistic study”, Chem. Phys. 311, pp129-137, 2005.                     

  60. M. Abe, T. Yanai, T. Nakajima, and K. Hirao, “A four-index transformation in Dirac’s four-component relativistic theory”, Chem. Phys. Lett. 388, pp68-73, 2004.            

  61. M. Abe, T. Nakajima, and K. Hirao,“A theoretical study of the low-lying states of the AuSi molecule: An assignment of the excited A and D states”, J. Chem. Phys. 117, 7960-7967, 2002.                               

  62. T. Tsuchiya, M. Abe, T. Nakajima, and K. Hirao “Accurate relativistic Gaussian basis sets for H through Lr determined by atomic SCF calculations with the third-order Douglas-Kroll approximation”, J. Chem. Phys. 115, pp.4463-4472, 2001                                             

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