Theoretical investigation of the diatomic Van der Waals systems Ca+He and CaHe

[1]  F. Gadéa,et al.  Spectroscopic ab initio investigation of the electronic properties of (SrK) , 2017 .

[2]  F. Gadéa,et al.  Potential energy curves determination and relative properties of NaSr+ molecular ion for the ground and several excited states , 2017 .

[3]  F. Gadéa,et al.  Theoretical study of the SrLi+ molecular ion: structural, electronic and dipolar properties , 2016 .

[4]  F. Gadéa,et al.  Ab initio investigation of the electronic and vibrational properties for the (CaLi)+ ionic molecule , 2016 .

[5]  A. Mahros,et al.  Ab initio study of Ba+Arn (n = 1–4) clusters: spectroscopic constants and vibrational energy levels , 2016 .

[6]  F. Gadéa,et al.  Ab initio calculation of the electronic structure of the strontium hydride ion (SrH , 2015 .

[7]  V. A. Alekseev,et al.  Collisional profiles of ionized calcium perturbed by helium , 2014 .

[8]  F. Gadéa,et al.  Ab initio spectroscopic study for the NaRb molecule in ground and excited states , 2014 .

[9]  Riadh Dardouri,et al.  Ab Initio Diabatic energies and dipole moments of the electronic states of RbLi molecule , 2013, J. Comput. Chem..

[10]  F. Gadéa,et al.  One and two-electron investigation of electronic structure for Ba(+)Xe and BaXe van der Waals molecules in a pseudopotential approach. , 2013, The journal of physical chemistry. A.

[11]  F. Gadéa,et al.  Adiabatic ab initio study of the BaH(+) ion including high energy excited states. , 2013, The journal of physical chemistry. A.

[12]  F. Gadéa,et al.  Theoretical study of the electronic structure of LiX and NaX (X = Rb, Cs) molecules , 2012 .

[13]  F. Gadéa,et al.  Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments , 2012 .

[14]  A. P. Hickman,et al.  Experimental studies of the NaCs 5(3)Π0 and 1(a)3Σ+ states. , 2010, The Journal of chemical physics.

[15]  F. Gadéa,et al.  Ab initio adiabatic and diabatic energies and dipole moments of the CaH+ molecular ion. , 2011, The journal of physical chemistry. A.

[16]  F. Gadéa,et al.  Ab initio study of spectroscopic properties of the calcium hydride molecular ion , 2011 .

[17]  T. Shi,et al.  The weakly bound states and resonances of the BeHe2 triatomic system. , 2011, The Journal of chemical physics.

[18]  F. Gadéa,et al.  Theoretical study of the MgAr molecule and its ion Mg+Ar: potential energy curves and spectroscopic constants , 2011 .

[19]  O. Al-Dossary,et al.  Electronic states of CsLi and CsLi+ molecules , 2011 .

[20]  W. Gaied,et al.  Many-body effects on structures of small Ca2+Arn clusters , 2011 .

[21]  B. Oujia,et al.  Potential energy curves, permanent and transition dipole moments for numerous electronic excited states of CaAr , 2010 .

[22]  J. Tennyson,et al.  Theoretical methods for small-molecule ro-vibrational spectroscopy , 2010 .

[23]  Edmond P. F. Lee,et al.  Theoretical study of the bonding in M(n+)-RG complexes and the transport of M(n+) through rare gas (M=Ca, Sr, and Ra; n=1 and 2; and RG=He-Rn). , 2010, The Journal of chemical physics.

[24]  O. Al-Dossary,et al.  Theoretical study of the electronic structure of LiNa and LiNa+ molecules , 2009 .

[25]  E. J. Felton,et al.  Collisional deactivation of Ba 5d7p (3)D1 by noble gases. , 2008, The journal of physical chemistry. A.

[26]  J. Connerade,et al.  The controlled excitation of forbidden transitions in the two-photon spectrum of strontium by using collisions and electric fields , 2007 .

[27]  A. Hernando,et al.  The structure and energetics of 3He and 4He nanodroplets doped with alkaline earth atoms. , 2007, The journal of physical chemistry. A.

[28]  F. Gadéa,et al.  Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments , 2006 .

[29]  A. Jalbout,et al.  Density functional theory analysis of CaRgn+ complexes: (Rg=He, Ne, Ar; n=1–4) , 2003 .

[30]  H. Stoll,et al.  Valence ab initio calculation of the potential energy curves for Ca-rare gas van der Waals molecules , 2003 .

[31]  R. Hinde.  Mg–He and Ca–He van der Waals interactions: approaching the Born–Oppenheimer limit , 2003 .

[32]  M. Klobukowski,et al.  Accurate ab initio alkaline earth–helium pair potentials , 2003 .

[33]  F. Spiegelman,et al.  Two-electron pseudopotential investigation of the electronic structure of the CaAr molecule , 2002 .

[34]  F. A. Gianturco,et al.  A variational method to treat diffuse states in weakly bound trimers , 2002 .

[35]  F. Gadéa,et al.  Ab initio adiabatic and diabatic energies and dipole moments of the RbH molecule , 2002 .

[36]  W. Breckenridge,et al.  Bonding in ground-state and excited-state A+.Rg van der Waals ions (A = atom, Rg = rare-gas atom): a model-potential analysis. , 2002, Chemical reviews.

[37]  F. Gadéa,et al.  Ab initio adiabatic and diabatic energies and dipole moments of the KH molecule , 2002 .

[38]  Ioannis S. K. Kerkines,et al.  An Accurate Description of the LiNe X2Σ+, A2Π, and B2Σ+States , 2001 .

[39]  U. Kleinekathöfer.  Ground state potentials for alkaline-earth–helium diatoms calculated by the surface integral method , 2000 .

[40]  H. Stoll,et al.  Calculation of ground- and excited-state potential energy curves for barium-rare gas complexes in a pseudopotential approach , 1998 .

[41]  M. Velegrakis,et al.  Vibrational constants and binding energies for the A 2Π and X 2Σ states of Sr+Kr from photodissociation spectroscopy , 1998 .

[42]  F. Stienkemeier,et al.  Alkaline earth metals (Ca, Sr) attached to liquid helium droplets: Inside or out? , 1997 .

[43]  C. Greene,et al.  Theoretical investigation of barium-helium collisions. I. The adiabatic potential curves , 1997 .

[44]  N. Andersen,et al.  Far-wing collisional redistribution of light in the barium-rare gas systems , 1996 .

[45]  G. Peach,et al.  Optical transitions in excited alkali + rare-gas collision molecules and related interatomic potentials: , 1996 .

[46]  H. Stoll,et al.  Pseudopotential calculations for the potential energies of Ca+He and Ca+Ne☆ , 1995 .

[47]  C. Yeh,et al.  Photodissociation spectroscopy of Mg+–rare gas complexes , 1994 .

[48]  Havey,et al.  Polarization and intensity spectra for Mg-Ne and Mg-Ar fractional collisions. , 1993, Physical review. A, Atomic, molecular, and optical physics.

[49]  F. Gadéa,et al.  Ab initio adiabatic and diabatic potential-energy curves of the LiH molecule , 1992 .

[50]  P. Millié,et al.  Nonperturbative method for core–valence correlation in pseudopotential calculations: Application to the Rb2 and Cs2 molecules , 1992 .

[51]  H. Stoll,et al.  Pseudopotential SCF/CI calculation for the potential energy curves of the CaHe pair☆ , 1991 .

[52]  Lee,et al.  Laser spectroscopy of the 3s 2 Sigma +p 2 Pi transition in LiNe. , 1991, Physical review. A, Atomic, molecular, and optical physics.

[53]  H. Stoll,et al.  Semi-local pseudopotential calculations for the potential energies of the CaHe and CaNe systems , 1989 .

[54]  J. Coutts,et al.  Effect of collisions on forbidden lines , 1987 .

[55]  Kleiber,et al.  Laser-absorption profiles of the calcium-rare-gas (4s 1 Sigma +-5s 1 Sigma +) molecular bands. , 1987, Physical review. A, General physics.

[56]  T. S. Monteiro,et al.  Broadening of the Ca + infrared triplet by helium , 1987 .

[57]  K. Tang,et al.  An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients , 1984 .

[58]  W. Meyer,et al.  Treatment of intershell correlation effects in ab initio calculations by use of core polarization potentials. Method and application to alkali and alkaline earth atoms , 1984 .

[59]  P. Dagdigian,et al.  Intramultiplet mixing in collisions of calcium 4s4p /sup 3/P/sub J//sup o/ with helium: Measurement of state-to-state cross sections , 1983 .

[60]  G. Scoles,et al.  Intermolecular forces via hybrid Hartree–Fock–SCF plus damped dispersion (HFD) energy calculations. An improved spherical model , 1982 .

[61]  J. J. Wright,et al.  1P1→3P1 excitation transfer for Ca and Sr with the noble gases , 1980 .

[62]  J. Visticot,et al.  Experimental investigation of the Cs(5D5/2,m=1/2)-rare-gas interaction: potential curves and oscillator strength of the dipole-induced transitions , 1980 .

[63]  A. Malvern.  Model potentials applied to complex-atom-inert-gas interactions , 1978 .

[64]  P. Durand,et al.  A theoretical method to determine atomic pseudopotentials for electronic structure calculations of molecules and solids , 1975 .