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Ground State Structure of the Metallic Hydrogen
Chinese Physics Letters, 1998By using Heine-Abarencov pseudopotential method with mono-parameter rc, the expressions for ground state energy (rs), pressure P (rs), and bulk modulus B(rs) of metallic hydrogen (fcc, bcc, and hcp structures) are derived. Based on Gibbs free energy function criterion, the calculation shows that cold metallic hydrogen lattice (T = 0K) belongs to hcp ...
Zai-wan Zhu, Jun-jie Li
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Atomically Precise Synthesis and Characterization of Heptauthrene with Triplet Ground State.
Nano letters (Print), 2020By virtue of multitunable spin structures upon designing the π-electron topologies, phenalenyl-based nanographenes are of substantial interest in fundamental science and for potential applications in spintronics.
Xuelei Su +5 more
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Collisions of ground-state hydrogen atoms
Physical Review A, 1999We derive an expression for the diffusion cross section of identical atoms and use it in a report of diffusion, viscosity, total, spin-change, frequency-shift, and broadening cross sections in hydrogen, calculated with improved interaction potentials. We also report some total cross sections for spin-polarized hydrogen.
M. J. Jamieson +4 more
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Ground state of a hydrogen molecule in superstrong magnetic fields
Physical Review A, 1995We study the ground-state structural properties of a hydrogen molecule in superstrong magnetic fields (B\ensuremath{\approxeq}${10}^{12}$ G) using quantum Monte Carlo (fixed-phase and variational) approaches. We determine that the ground state (spin-triplet) belongs to the sector of total (z-component) angular momentum M=-1 ${(}^{3}$${\mathrm ...
, Ortiz, , Jones, , Ceperley
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The ground state of the hydrogen molecule
Proceedings of the Physical Society, 1965Weinbaum's treatment of the 1Σg+ state of H2 is adapted to calculate the ground state electronic wave function at several internuclear distances.
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Dynamics of Hydrogen Bromide Dissolution in the Ground and Excited States
Science, 2002The dissolution of acids is one of the most fundamental solvation processes, and an important issue is the nature of the hydration complex resulting in ion pair formation. We used femtosecond pump-probe spectroscopy to show that five water molecules are necessary for complete dissolution of a hydrogen bromide molecule to form the contact ...
S M, Hurley +3 more
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Ground-State Energy of Metallic Hydrogen. I
Physical Review, 1962The ground-state energy of metallic hydrogen is calculated within the framework of a perturbation expansion by interpreting the perturbation series as that for two simpler systems weakly interacting, one being the electron gas system, the other that of electrons moving in the periodic potential of the lattice neutralized by a uniformly distributed ...
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The ground and excited states of hydrogen sulfide, methanethiol, and hydrogen selenide
Journal of Molecular Spectroscopy, 1984Abstract Ab initio SCF and CI investigations of the ground and excited singlet electronic states of hydrogen sulfide 1, methanethiol 2, and hydrogen selenide 3 have been carried out. The moderately large atomic basis sets are augmented by bond functions for polarization and by sets of diffuse s and p functions to enable the description of the lower ...
Arvi Rauk, Scott Collins
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Hyperfine splitting in the ground state of hydrogen
American Journal of Physics, 1982The hyperfine structure of atomic hydrogen is derived in a simple and self-contained way that makes the theory accessible to advanced undergraduates in a first course on quantum mechanics.
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Determination of density of hydrogen atoms in the ground state
Vacuum, 1996Abstract An improved electrical probe capable of measuring not only plasma density, electron temperature, and plasma potential, but also the density of neutral hydrogen atoms in the ground state is described. The probe is made of a small disc connected to a pair of thin thermo-couple wires.
M Mozetič +3 more
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