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
core +3 more sources
Abundance and Partitioning of OH in a High-pressure Magmatic System: Megacrysts from the Monastery Kimberlite, South Africa [PDF]
, 2004 Concentrations of OH, and major and trace elements were determined in a suite of mantle-derived megacrysts that represent the crystallization products of a kimberlite-like magma at ~5 GPa and ~1400–1100°C.
Bell, David R. +2 more
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High‐Pressure Na‐Ca Carbonates in the Deep Carbon Cycle
Geophysical Monograph Series, Page 127-136., 2020 This book is Open Access. A digital copy can be downloaded for free from Wiley Online Library.
Explores the behavior of carbon in minerals, melts, and fluids under extreme conditions
Carbon trapped in diamonds and carbonate-bearing rocks in subduction zones are examples of the continuing exchange of substantial carbon ...
Sergey Rashchenko +2 more
wiley +7 more sources
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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Experimental charge density of grossular under pressure – a feasibility study
IUCrJ, 2020 X-ray diffraction studies of crystals under pressure and quantitative experimental charge density analysis are among the most demanding types of crystallographic research.
Roman Gajda +6 more
doaj +1 more source
PEO Infiltration of Porous Garnet-Type Lithium-Conducting Solid Electrolyte Thin Films
Ceramics, 2021 Composite electrolytes containing lithium ion conducting polymer matrix and ceramic filler are promising solid-state electrolytes for all solid-state lithium ion batteries due to their wide electrochemical stability window, high lithium ion conductivity ...
Aamir Iqbal Waidha +2 more
doaj +1 more source
A general second order complete active space self-consistent-field solver for large-scale systems [PDF]
, 2017 We present a new second order complete active space self-consistent field implementation to converge wavefunctions for both large active spaces and large atomic orbital (AO) bases.
Chan, Garnet Kin-Lic +2 more
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Geologica Carpathica, 2018 Detrital garnets and rutiles have been recovered from basaltic pyroclastic rocks in the northern part of the Pannonian Basin and characterized using electron probe microanalysis and imaging.
Nemec Ondrej, Huraiová Monika
doaj +1 more source
Laser Synthesis of Cerium-Doped Garnet Nanoparticles
Nanomaterials, 2023 The application of a pulsed laser ablation technique for the generation of cerium-doped garnet nanoparticles in liquids is investigated. The morphological and optical properties of the obtained nanoparticles are demonstrated.
Volodymyr Vasylkovskyi +9 more
doaj +1 more source