Natural evidence for garnet-spinel transition (GST) in the Earth's mantle [PDF]
, 2008 This study based on compiled world-wide garnet peridotite data confirms the GST in high P and T conditions, which was obtained from Al-free experimental system (MgO-Cr~2~O~3~-SiO~2~) by Klemme (2004). A new spinel-phase peridotite zone, garnet peridotite
BenXun Su
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A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states [PDF]
, 2014 We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS).
Chan, Garnet Kin-Lic, Sharma, Sandeep
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Density matrix embedding theory for interacting electron-phonon systems [PDF]
, 2016 We describe the extension of the density matrix embedding theory (DMET) framework to coupled interacting fermion-boson systems. This provides a frequency-independent, entanglement embedding formalism to treat bulk fermion-boson problems.
Chan, Garnet Kin-Lic +1 more
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Constructing Auxiliary Dynamics for Nonequilibrium Stationary States by Variance Minimization [PDF]
, 2019 We present a strategy to construct guiding distribution functions (GDFs) based on variance minimization. Auxiliary dynamics via GDFs mitigates the exponential growth of variance as a function of bias in Monte Carlo estimators of large deviation functions.
Chan, Garnet Kin-Lic, Ray, Ushnish
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Electrical Conductivity of Eclogitic Omphacite and Garnet at Water-Rich Conditions
Frontiers in Earth Science, 2022 Electrical conductivity of water-rich omphacite and garnet in eclogite was measured at 1 GPa and 200–800°C in a piston cylinder press and by a Solartron-1260 impedance/gain-phase analyzer at 106-1 Hz frequency. The water content of pre-annealed omphacite
Hanyong Liu +3 more
doaj +1 more source
Excited state geometry optimization with the density matrix renormalization group as applied to polyenes [PDF]
, 2015 We describe and extend the formalism of state-specific analytic density matrix renormalization group (DMRG) energy gradients, first used by Liu et al (J. Chem. Theor.Comput. 9, 4462 (2013)).
Chan, Garnet Kin-Lic, Hu, Weifeng
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Hilbert space renormalization for the many-electron problem [PDF]
, 2015 Renormalization is a powerful concept in the many-body problem. Inspired by the highly successful density matrix renormalization group (DMRG) algorithm, and the quantum chemical graphical representation of configuration space, we introduce a new ...
Chan, Garnet Kin-Lic, Li, Zhendong
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Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems [PDF]
, 2020 We discuss the theory and implementation of the finite temperature coupled cluster singles and doubles (FT-CCSD) method including the equations necessary for an efficient implementation of response properties.
Chan, Garnet Kin-Lic, White, Alec F.
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Density matrix embedding: A strong-coupling quantum embedding theory [PDF]
, 2012 We extend our density matrix embedding theory (DMET) [Phys. Rev. Lett. 109 186404 (2012)] from lattice models to the full chemical Hamiltonian. DMET allows the many-body embedding of arbitrary fragments of a quantum system, even when such fragments are ...
Chan, Garnet Kin-Lic, Knizia, Gerald
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Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory [PDF]
, 2015 We compute the ground-state phase diagram of the Hubbard and frustrated Hubbard models on the square lattice with density matrix embedding theory using clusters of up to 16 sites.
Chan, Garnet Kin-Lic, Zheng, Bo-Xiao
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