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
core +3 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
core +3 more sources
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
core +2 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
core +1 more source
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
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
The degree of commutativity and lamplighter groups
, 2018 The degree of commutativity of a group $G$ measures the probability of choosing two elements in $G$ which commute. There are many results studying this for finite groups. In [AMV17], this was generalised to infinite groups.
Cox, Charles Garnet
core +1 more source
Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group [PDF]
, 2018 We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance (EPR) $g$-tensors from density matrix renormalization group wavefunctions.
Chan, Garnet K. -L. +1 more
core +3 more sources
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