Zobrazeno 1 - 10
of 3 191
pro vyhledávání: '"A Lic"'
We present an efficient implementation of the random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With optimized parameters, DLPNO-RPA achieves approximately 99.9% accuracy in t
Externí odkaz:
http://arxiv.org/abs/2411.07352
Autor:
Chen, Jielun, Chan, Garnet Kin-Lic
We describe how to use quantum linear algebra to simulate a physically realistic model of disordered non-interacting electrons on exponentially many lattice sites. The physics of disordered electrons outside of one dimension challenges classical comp
Externí odkaz:
http://arxiv.org/abs/2411.00434
Autor:
Gao, Yang, Zhai, Huanchen, Gray, Johnnie, Peng, Ruojing, Park, Gunhee, Liu, Wen-Yuan, Kjønstad, Eirik F., Chan, Garnet Kin-Lic
We describe our implementation of fermionic tensor network contraction on arbitrary lattices within both a globally ordered and locally ordered formalism. We provide a pedagogical description of these two conventions as implemented for the quimb libr
Externí odkaz:
http://arxiv.org/abs/2410.02215
Autor:
Berry, Dominic W., Tong, Yu, Khattar, Tanuj, White, Alec, Kim, Tae In, Boixo, Sergio, Lin, Lin, Lee, Seunghoon, Chan, Garnet Kin-Lic, Babbush, Ryan, Rubin, Nicholas C.
Studies on quantum algorithms for ground state energy estimation often assume perfect ground state preparation; however, in reality the initial state will have imperfect overlap with the true ground state. Here we address that problem in two ways: by
Externí odkaz:
http://arxiv.org/abs/2409.11748
Belief propagation (BP) can be a useful tool to approximately contract a tensor network, provided that the contributions from any closed loops in the network are sufficiently weak. In this manuscript we describe how a loop series expansion can be app
Externí odkaz:
http://arxiv.org/abs/2409.03108
We study real-time operator evolution using sparse Pauli dynamics, a recently developed method for simulating expectation values of quantum circuits. On the examples of energy and charge diffusion in 1D spin chains and sudden quench dynamics in the 2
Externí odkaz:
http://arxiv.org/abs/2409.03097
We present an implementation of alchemical free energy simulations at the quantum mechanical level by directly interpolating the electronic Hamiltonian. The method is compatible with any level of electronic structure theory and requires only one quan
Externí odkaz:
http://arxiv.org/abs/2408.17002
Publikováno v:
Physical Review B 110, 195148 (2024)
We introduce a new framework to study the dynamics of open quantum systems with linearly coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary discrete set of pseudomodes with dissipative dynamics, but we further relax t
Externí odkaz:
http://arxiv.org/abs/2408.15529
Autor:
Li, Chenghan, Chan, Garnet Kin-Lic
We present an implementation of the quantum mechanics/molecular mechanics (QM/MM) method for periodic systems using GPU accelerated QM methods, a distributed multipole formulation of the electrostatics, and a pseudo-bond treatment of the QM/MM bounda
Externí odkaz:
http://arxiv.org/abs/2408.03273
Autor:
Chan, Garnet Kin-Lic
We describe the problems of quantum chemistry, the intuition behind classical heuristic methods used to solve them, a conjectured form of the classical complexity of quantum chemistry problems, and the subsequent opportunities for quantum advantage.
Externí odkaz:
http://arxiv.org/abs/2407.11235