5 citations · 5 across the 1 of their papers we have counts for
3 papers
quant-ph2020★ 5 cited
Efficient algorithm for generating Pauli coordinates for an arbitrary linear operator
Daniel Gunlycke, Mark C. Palenik, Alex R. Emmert +1
Several linear algebra routines for quantum computing use a basis of tensor products of identity and Pauli operators to describe linear operators, and obtaining the coordinates for…
physics.chem-ph2020
Initial estimate for minimum energy pathways and transition states using velocities in internal coordinates
Mark C Palenik
Many algorithms for finding reaction pathways require an initial estimate of the minimum energy path (MEP). Most estimation methods use a variational approach and thus must be seed…
cond-mat.mtrl-sci2016
Variationally fitting the total electron-electron interaction
Brett I Dunlap, Mark C Palenik
Density fitting is used throughout quantum chemistry to simplify the electron-electron interaction energy (EE). A fundamental property of quantum chemistry, and DFT in particular,…