A fresh look at dense hydrogen under pressure. I. an introduction to the problem, and an index probing equalization of H-H distances.
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Summary
An equalization function is defined to gauge the approach to equality of the first neighbor and shortest next neighbor H (proton) separations in this numerical laboratory, and it is found that metallization is likely to occur before bond equalization.
- Type
- article
- Published
- 2012-02-15
- Cited by
- 61
- References
- 80
- Access
- Open access
- OpenAlex
- https://openalex.org/W1986291453
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:6493473
Keywords
Intermolecular force, Intramolecular force, Hydrogen, Equalization (audio), Hydrogen bond
References
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- The chemical imagination at work in very tight places.
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- Will solid hydrogen ever be a metal?
- Ground-state structures of atomic metallic hydrogen.
- Structure and spectroscopic properties of dense solid hydrogen at 160 GPa
- Projector augmented-wave method.
- Exact-exchange crystal Hartree--Fock calculations of molecular and metallic hydrogen and their transitions
- Bonding changes in hot fluid hydrogen at megabar pressures
- Fundamental absorption spectra of solid hydrogen
- X-ray diffraction and equation of state of hydrogen at megabar pressures
- From ultrasoft pseudopotentials to the projector augmented-wave method
- Generalized Gradient Approximation Made Simple.
- A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations.
- A fresh look at dense hydrogen under pressure. IV. Two structural models on the road from paired to monatomic hydrogen, via a possible non-crystalline phase.
- Raman measurements of hydrogen in the pressure range 0.2-630 kbar at room temperature
- Spectroscopic studies of the vibrational and electronic properties of solid hydrogen to 285 GPa
Cited by
- Quantum simulation of low-temperature metallic liquid hydrogen
- Structural morphologies of high-pressure polymorphs of strontium hydrides.
- ABC optimization of TMD parameters for tall buildings with soil structure interaction
- A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations.
- A fresh look at dense hydrogen under pressure. IV. Two structural models on the road from paired to monatomic hydrogen, via a possible non-crystalline phase.
- Ab initio molecular dynamics: Relationship between structural phases and the sound velocity in dense hydrogen
- Communication: A simple full range analytical potential for H2b(3)∑u (+), H-He (2)∑(+), and He2 (1)∑g (.).
- A fresh look at dense hydrogen under pressure. III. Two competing effects and the resulting intra-molecular H-H separation in solid hydrogen under pressure.
- Molecular dynamics studies of interaction between hydrogenand carbon nano-carriers
- Special structures and properties of hydrogen nanowire confined in a single walled carbon nanotube at extreme high pressure
- Bulk modulus for solid molecular tritium: Ab initio approximation
- Towards a predictive first-principles description of solid molecular hydrogen with density functional theory
- Metallic hydrogen: Hard pressed
- High-pressure formation and stabilization of binary iridium hydrides.
- Attractive forces between ions in quantum plasmas: Failure of linearized quantum hydrodynamics
- Quantum Monte Carlo study of high pressure solid molecular hydrogen
- Equilibrium properties of the reaction H2 ⇌ 2H by classical molecular dynamics simulations.
- Raman measurements of phase transitions in dense solid hydrogen and deuterium to 325 GPa
- The Properties of Hydrogen and Helium Under Extreme Conditions
- Aromaticity, closed-shell effects, and metallization of hydrogen.
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