Improved theoretical dissociation energy and ionization potential for the ground state of the hydrogen molecule

1993 ◽  
Vol 98 (5) ◽  
pp. 3960-3967 ◽  
Author(s):  
Wl/odzimierz Kol/os ◽  
Jacek Rychlewski
Keyword(s):  
Ionization Potential ◽  
Dissociation Energy ◽  
Ground State ◽  
Hydrogen Molecule

Emission Spectrum of the PO Molecule. Part II.2Σ–2Σ Transitions

1971 ◽  
Vol 49 (24) ◽  
pp. 3180-3200 ◽  
Author(s):  
R. D. Verma ◽  
M. N. Dixit ◽  
S. S. Jois ◽  
S. Nagaraj ◽  
S. R. Singhal
Keyword(s):  
Emission Spectrum ◽  
Ionization Potential ◽  
Dissociation Energy ◽  
Ground State ◽  
Rydberg States ◽  
Electronic States ◽  
Electronic Transitions ◽  
A Value ◽  
Upper Limit ◽  
First Ionization Potential

Rotational structure of emission bands of the PO molecule in the region 5300–3800 Å is analyzed. The spectrum is attributed to 5 electronic transitions A2Σ+–B2Σ+, F2Σ+–B2Σ+, G2Σ+–B2Σ+, H2Σ+–B2Σ+, and I2Σ+–B2Σ+, where F, G, H, and I are the new electronic states and A and B are the upper states of the well-known γ and β bands respectively. Practically all the new 2Σ states are found to be perturbed. A qualitative account of these perturbations together with a deperturbation of certain levels is given. A number of cases of predissociation are also observed. This predissociation is attributed to the presence of 4Πi, and A′2Σ+ states, which dissociate to the ground state atomic products. From this an upper limit of the dissociation energy of the ground state of PO is determined to be D0 = 49 536 cm−1. The A, D, E, G, H, and I states of this molecule are assigned as Rydberg states corresponding to the σ4s, π4p, δ3d, σ4p, σ3d, and σ5s orbitals, respectively. From them a value of 67 570 cm−1 is evaluated for the first ionization potential of PO. All the electronic states established for this molecule are described in terms of electron configurations.

The absorption spectrum of diatomic phosphorus between 1370 and 600 Å

1975 ◽  
Vol 342 (1628) ◽  
pp. 93-111 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Ionization Potential ◽  
Dissociation Energy ◽  
Ground State ◽  
Molecular Orbitals ◽  
The Other ◽  
Ultraviolet Absorption Spectrum ◽  
Rydberg Series ◽  
Far Ultraviolet ◽  
First Ionization Potential

Nine Rydberg series have been observed in the far ultraviolet absorption spectrum of P 2 . Four of these converge to the.(5σ g ) 2 (2π u ) 3 , 2II u (inv.) state of the ion which is established as being the ground state; four to the low-lying ...(5σ g ) (2π u ) 4 , A 2 Ʃ g + state and one to a newly identified (5σ g ) (2π u )3 2πg, F 2 Ʃ + u state. The first ionization potential is found to be 85 229 ± 15 cm-1 (10.567 ± 0.002eV), which is the limit corresponding to the upper component (2II1/2 ) of the inverted X 2II u state. The other limits are observed at 87 179 + 2cm -1 (A 2 Ʃ + g ) and 125 225 ± 10cm -1 (F 2 Ʃ + u ). The series have been interpreted in terms of molecular orbitals and are found to involve excitation of n sσ g , n dσ g , n dπ g and n dδ g for the X 2 II u core; n pπ u , n fσ u , and n fπ u for the A 2 Ʃ + g core and for the A 2 Ʃ + u core. The evaluation and identification of the series limits enables the relative positions of the states of P + 2 to be established. The dissociation energy of P + 2 is estimated to be 4.98 ± 0.01eV.

Ground state of the hydrogen molecule in a strong magnetic field

1997 ◽  
Vol 56 (4) ◽  
pp. R2510-R2513 ◽  
Author(s):  
Yu. P. Kravchenko ◽  
M. A. Liberman
Keyword(s):  
Magnetic Field ◽  
Strong Magnetic Field ◽  
Ground State ◽  
Hydrogen Molecule

scholarly journals X-ray laser lines in nickel-like erbium

2016 ◽  
Vol 94 (8) ◽  
pp. 705-711
Author(s):  
Wessameldin S. Abdelaziz
Keyword(s):  
Ionization Potential ◽  
Excited States ◽  
Ground State ◽  
Energy Levels ◽  
Single Electron ◽  
Electron Densities ◽  
X Ray ◽  
Electron Excited States

Energy levels of 249 excited levels in nickel-like erbium are calculated using the 3s23p63d10 as a ground state and the single electron excited states from n = 3 to n = 4, 5 orbitals, calculations have been performed using FAC code (Gu. Astrophys. J. 582, 1241 (2003). doi:10.1086/344745 ). The populations are calculated over electron densities from 1020 to 1023 cm−3 and electron temperatures 1/2, 3/4 of the ionization potential of Ni-like Er. The gain coefficients of the transitions are calculated.

scholarly journals IMPROVEMENT OF THE DISSOCIATION ENERGY OF THE HYDROGEN MOLECULE (PART ONE)

2018 ◽  
Author(s):  
Joël Hussels ◽  
Christian Jungen ◽  
Shui-Ming Hu ◽  
Lei-Gang Tao ◽  
Frederic Merkt ◽  
...  
Keyword(s):  
Dissociation Energy ◽  
Hydrogen Molecule

Interaction Potential between Ground State Helium Atom and theB1Σu+State of the Hydrogen Molecule

1972 ◽  
Vol 56 (3) ◽  
pp. 1219-1223 ◽  
Author(s):  
Henry F. Schaefer ◽  
Daniel Wallach ◽  
Charles F. Bender
Keyword(s):  
Helium Atom ◽  
Interaction Potential ◽  
Ground State ◽  
Hydrogen Molecule

Reply to comment on “A MRCI PS and CASSCF study of the ground state MgO dissociation energy”

1993 ◽  
Vol 205 (4-5) ◽  
pp. 484-486 ◽  
Author(s):  
I. Garcia Cuesta ◽  
A. Sánchez de Merás ◽  
I. Nebot Gil
Keyword(s):  
Dissociation Energy ◽  
Ground State
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