The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
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The correlation theory of the chemical bondOn the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2.New electron correlation theories for transition metal chemistry.Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models.Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.Mono- and binuclear non-heme iron chemistry from a theoretical perspective.Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complex.Multiconfigurational Effects in Theoretical Resonance Raman Spectra.Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems.Self-adaptive tensor network states with multi-site correlators.Linear response theory for the density matrix renormalization group: efficient algorithms for strongly correlated excited states.An efficient matrix product operator representation of the quantum chemical Hamiltonian.Density-matrix renormalization group algorithm with multi-level active space.Communication: four-component density matrix renormalization group.Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment.Communication: Active space decomposition with multiple sites: density matrix renormalization group algorithm.Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group.Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm.Construction of CASCI-type wave functions for very large active spaces.On the calculation of complete dissociation curves of closed-shell pseudo-onedimensional systems via the complete active space method of increments.Towards biochemically relevant QM computations on nucleic acids: controlled electronic structure geometry optimization of nucleic acid structural motifs using penalty restraint functions.A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions.Challenges in Simulating Light-Induced Processes in DNAMeasuring multi-configurational character by orbital entanglementSelection of active spaces for multiconfigurational wavefunctionsDensity matrix renormalization group with efficient dynamical electron correlation through range separationUnravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUOSpin in density-functional theoryQuantum-information analysis of electronic states of different molecular structures
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P2860
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
description
im April 2010 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2010
@uk
name
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
@en
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
@nl
type
label
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
@en
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
@nl
prefLabel
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
@en
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
@nl
P2860
P356
P1476
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
@en
P2093
Konrad Heinrich Marti
P2860
P304
P356
10.1524/ZPCH.2010.6125
P577
2010-04-01T00:00:00Z