1.2k citations · 13.4k across the 132 of their papers we have counts for
16 papers · 1 filter
Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group
Elvira R. Sayfutyarova, Garnet K. -L. Chan
We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance (EPR) -tensors from density matrix renormalization group wavefunctions. We…
Quantum Simulation of Electronic Structure with Linear Depth and Connectivity
Ian D. Kivlichan, Jarrod McClean, Nathan Wiebe +4
As physical implementations of quantum architectures emerge, it is increasingly important to consider the cost of algorithms for practical connectivities between qubits. We show th…
Lowering of the complexity of quantum chemistry methods by choice of representation
Narbe Mardirossian, James D. McClain, Garnet Kin-Lic Chan
The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemist…
Exact fluctuations of nonequilibrium steady states from approximate auxiliary dynamics
Ushnish Ray, Garnet Kin-Lic Chan, David T. Limmer
We describe a framework to significantly reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. W…
Importance sampling large deviations in nonequilibrium steady states. I
Ushnish Ray, Garnet Kin-Lic Chan, David T. Limmer
Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states, and in such a way are similar to free energies for…
Gaussian and plane-wave mixed density fitting for periodic systems
Qiming Sun, Timothy C. Berkelbach, James D. McClain +1
We introduce a mixed density fitting scheme that uses both a Gaussian and a plane-wave fitting basis to accurately evaluate electron repulsion integrals in crystalline systems. We…