Results 11 to 20 of about 10,051 (282)
Hyperfine structure constants for diatomic molecules [PDF]
Journal of Research of the National Institute of Standards and Technology, 1998 The multiconfiguration valence-bond method (VB) is applied to diatomic molecules using the Hartree-Fock (HF) atomic basis set. The hyperfine constant, Fermi contact term, is computed as a function of the interatomic separation for the X2∏ ground state of 17OH and X1∑ ground state of 107AgH+ molecules.
Tupitsyn, I., Kotochigova, S.
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Rotational Spectroscopy of Diatomic Molecules [PDF]
Applied Rheology, 2003 Written to be the definitive text on the rotational spectroscopy of diatomic molecules, this book develops the theory behind the energy levels of diatomic molecules and then summarises the many experimental methods used to study their spectra in the ...
Mäder H.
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Permanent electric dipole moment of diatomic molecules using relativistic extended-coupled-cluster method [PDF]
, 2023 We employ the four-component relativistic extended-coupled-cluster (ECC) method to compute the permanent electric dipole moment (PDM) of a few open-shell diatomic molecules in their ground electronic state.
Kaushik, Talukdar +2 more
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Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen [PDF]
, 2021 Bonding energies are key for the relative stability of molecules in chemical space. Therefore methods employed to search for relevant molecules in chemical space need to capture the bonding behavior for a wide range of molecules, including radicals.
Emily, Eikey +4 more
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Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
Scientific Reports, 2023 In this study, a diatomic molecule interacting potential such as the deformed Schiöberg oscillator (DSO) have been applied to diatomic systems. By solving the Schrödinger equation with the DSO, analytical equations for energy eigenvalues, molar entropy ...
A. D. Ahmed +4 more
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Analytical solutions of D-dimensional Klein–Gordon equation with modified Mobius squared potential
Results in Physics, 2021 Approximate solutions of Klein–Gordon equation are obtained for the modified Mobius squared potential using the Nikiforov-Uvarov (NU) method. The relativistic energy eigenvalues and corresponding wave functions are obtained.
C.P. Onyenegecha +6 more
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Entropy, 2022 A quantum phase transition (QPT) in a simple model that describes the coexistence of atoms and diatomic molecules is studied. The model, which is briefly discussed, presents a second-order ground state phase transition in the thermodynamic (or large ...
Ignacio Baena +3 more
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Dynamical crystal creation with polar molecules or Rydberg atoms in optical lattices [PDF]
, 2010 We investigate the dynamical formation of crystalline states with systems of polar molecules or Rydberg atoms loaded into a deep optical lattice. External fields in these systems can be used to couple the atoms or molecules between two internal states ...
Schachenmayer, J. +7 more
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Information entropies for the Morse potential using the J-matrix method
Results in Physics, 2017 Information entropies, such as Shannon, Fisher and Rényi entropies, with their associated quantities, are calculated and discussed for the Morse potential in the position (r) and momentum (p) spaces using the J-matrix method.
M.S. Abdelmonem +2 more
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Angle- and spin-resolved photoelectron spectroscopy in rotationally resolved photoionization of HI [PDF]
, 1994 Mank A, Drescher M, Brockhinke A, Böwering N, Heinzmann U. Angle- and spin-resolved photoelectron spectroscopy in rotationally resolved photoionization of HI. Zeitschrift für Physik D: Atoms, Molecules and Clusters.
Mank, A. +4 more
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