Production of metallic hydrogen is one of the top three open quests of physics. Recent low temperature optical, resistivity, and infrared (IR) transmission experiments show different metallization pressures, varying from 360GPa to 490GPa. In this work, we simulate structural properties, and vibrational Raman, IR and optical spectra with inclusion of proton quantum effects. We confirm the C2/c-24 as the best candidate for phase III at low temperatures from 250GPa to 420GPa. We demonstrate that nuclear quantum effects downshift the vibron frequencies of 1000 cm-1 and are responsible of the strong increase with pressure of the Raman vibron linewidth in the 260-360 GPa range detected in experiments. The C2/c-24 phase becomes metallic at 380GPa ...
The high-pressure phase transition and the metallization of Ar(H2)2 are investigated using first-pri...
A variational wavefunction is used to express the (spin restricted) Hartree-Fock energy as reciproca...
The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matt...
Hydrogen metallization under stable conditions is a major quest for realizing the first room tempera...
Production of metallic hydrogen is one of the top three open quests of physics[1]. Three different e...
A recent experimental study of the metallization of hydrogen tracked the direct band gap and vibron ...
Establishing metallic hydrogen is a goal of intensive theoretical and experimental work since 1935 w...
The recent claim of having produced metallic hydrogen in the laboratory relies on measurements of op...
Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical phy...
A new phase V of hydrogen was recently claimed in experiments above 325 GPa and 300 K. Due to the ex...
According to theoretical predictions, insulating molecular hydrogen dissociates and transforms into ...
We present an accurate computational study of the electronic structure and lattice dynamics of solid...
The melting temperature of solid hydrogen drops with pressure above similar to 65 GPa, suggesting th...
A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level pictur...
A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level pictur...
The high-pressure phase transition and the metallization of Ar(H2)2 are investigated using first-pri...
A variational wavefunction is used to express the (spin restricted) Hartree-Fock energy as reciproca...
The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matt...
Hydrogen metallization under stable conditions is a major quest for realizing the first room tempera...
Production of metallic hydrogen is one of the top three open quests of physics[1]. Three different e...
A recent experimental study of the metallization of hydrogen tracked the direct band gap and vibron ...
Establishing metallic hydrogen is a goal of intensive theoretical and experimental work since 1935 w...
The recent claim of having produced metallic hydrogen in the laboratory relies on measurements of op...
Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical phy...
A new phase V of hydrogen was recently claimed in experiments above 325 GPa and 300 K. Due to the ex...
According to theoretical predictions, insulating molecular hydrogen dissociates and transforms into ...
We present an accurate computational study of the electronic structure and lattice dynamics of solid...
The melting temperature of solid hydrogen drops with pressure above similar to 65 GPa, suggesting th...
A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level pictur...
A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level pictur...
The high-pressure phase transition and the metallization of Ar(H2)2 are investigated using first-pri...
A variational wavefunction is used to express the (spin restricted) Hartree-Fock energy as reciproca...
The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matt...