271 citations · 476 across the 11 of their papers we have counts for
12 papers
Full Minimal Coupling All-Electron Real-Time TDDFT for X-Ray-Matter Interactions
Daniel Schacher, Tod A. Pascal, Craig P. Schwartz +1
Standard real-time time-dependent density functional theory (RT-TDDFT) couples light to matter through a spatially uniform (dipole) vector potential, an approximation that breaks d…
The Surface Sensitivity of X-ray Second Harmonic Generation as a Function of Energy
Daniel Schacher, Tod A. Pascal, Keith V. Lawler +1
The surface sensitivity and probe depth in the x-ray regime of diamond for second harmonic generation (SHG) was investigated both analytically and computationally with velocity gau…
Ultra-fast yttrium hydride chemistry at high pressures via non-equilibrium states induced by x-ray free electron laser
Emily Siska, G. Alexander Smith, Sergio Villa-Cortes +24
Controlling the formation and stoichiometric content of desired phases of materials has become a central interest for the study of a variety of fields, notably high temperature sup…
The Isotope Effect and Critical Magnetic Fields of Superconducting YH: A Migdal-Eliashberg Theory Approach
S. Villa-Cortés, O. De la Peña-Seaman, Keith V. Lawler +1
The emergence of near-ambient temperature superconductivity under pressure in the metal hydride systems has motivated a desire to further understand such remarkable properties, spe…
Observation of Conventional Near Room Temperature Superconductivity in Carbonaceous Sulfur Hydride
Hiranya Pasan, Elliot Snider, Sasanka Munasinghe +21
The phenomenon of high temperature superconductivity, approaching room temperature, has been realized in a number of hydrogen-dominant alloy systems under high pressure conditions1…
Understanding Hydrogen Rich Superconductors: Importance of Effective Mass and Dirty Limit
Andrew L. Cornelius, Keith V. Lawler, Ashkan Salamat
A class of hydrogen-rich (H-rich) systems, consistent with Type II superconductivity, are known to have very high superconducting transition temperatures Tc and upper critical magn…
Lower pressure phases and metastable states of superconducting photo-induced carbonaceous sulfur hydride
G. Alexander Smith, Ines E. Collings, Elliot Snider +9
Room-temperature superconductivity was recently discovered in carbonaceous sulfur hydride (C-S-H) close to 3\,Mbar. We report significant differences in the superconducting respons…
Decoupling lattice and magnetic instabilities in frustrated CuMnO
Keith V. Lawler, Dean Smith, Shaun R. Evans +8
The MnO delafossites (=Na, Cu), are model frustrated antiferromagnets, with triangular layers of Mn~spins. At low temperatures (=65 K), a $C2/m \rightarro…
Superconductivity to 262 kelvin via catalyzed hydrogenation of yttrium at high pressures
Elliot Snider, Nathan Dasenbrock-Gammon, Raymond McBride +6
Room temperature superconductivity has been achieved under high pressure in an organically derived carbonaceous sulfur hydride with a critical superconducting transition temperatur…
Post-aragonite phases of CaCO at lower mantle pressures
Dean Smith, Keith V. Lawler, Miguel Martinez-Canales +7
The stability, structure and properties of carbonate minerals at lower mantle conditions has significant impact on our understanding of the global carbon cycle and the composition…
An efficient basis set representation for calculating electrons in molecules
Jeremiah R. Jones, Francois-Henry Rouet, Keith V. Lawler +9
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation…
Multiconfiguration Time-Dependent Hartree-Fock Treatment of Electronic and Nuclear Dynamics in Diatomic Molecules
Daniel J. Haxton, Keith V. Lawler, C. William McCurdy
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Op…