Related references
Note: Only part of the references are listed.Post-Density Matrix Renormalization Group Methods for Describing Dynamic Electron Correlation with Large Active Spaces
Yifan Cheng et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)
Mixed precision s-step Lanczos and conjugate gradient algorithms
Erin Carson et al.
NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS (2022)
Optimizing two-electron repulsion integral calculations with McMurchie-Davidson method on graphic processing unit
Yingqi Tian et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges
Alberto Baiardi et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
The Ground State Electronic Energy of Benzene
Janus J. Eriksen et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm
Giuseppe M. J. Barca et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Scalable Heterogeneous Execution of a Coupled-Cluster Model with Perturbative Triples
Jinsung Kim et al.
PROCEEDINGS OF SC20: THE INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS (SC20) (2020)
Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects
Andreas Alvermann et al.
JAPAN JOURNAL OF INDUSTRIAL AND APPLIED MATHEMATICS (2019)
Calculation of Quantum Chemical Two-Electron Integrals by Applying Compiler Technology on GPU
Gabor Janos Tornai et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces
Sheng Guo et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom
Pavel Pokhilko et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Communication: A difference density picture for the self-consistent field ansatz
Robert M. Parrish et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity
Chenchen Song et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
The density matrix renormalization group for ab initio quantum chemistry
Sebastian Wouters et al.
EUROPEAN PHYSICAL JOURNAL D (2014)
Multireference electron correlation methods with density matrix renormalisation group reference functions
Yuki Kurashige
MOLECULAR PHYSICS (2014)
SPFP: Speed without compromise-A mixed precision model for GPU accelerated molecular dynamics simulations
Scott Le Grand et al.
COMPUTER PHYSICS COMMUNICATIONS (2013)
Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence Relations
Yipu Miao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations
Eiji Tsuchida et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
Mixed-precision evaluation of two-electron integrals by Rys quadrature
Andrey Asadchev et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
New Multithreaded Hybrid CPU/GPU Approach to Hartree-Fock
Andrey Asadchev et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
The Density Matrix Renormalization Group in Quantum Chemistry
Garnet Kin-Lic Chan et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 62 (2011)
Coupled Cluster Theory on Graphics Processing Units I. The Coupled Cluster Doubles Method
A. Eugene DePrince et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Determining the Numerical Stability of Quantum Chemistry Algorithms
Gerald Knizia et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Accurate Quantum Chemistry in Single Precision Arithmetic: Correlation Energy
Victor P. Vysotskiy et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)
Nathan Luehr et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems
Wenjing Ma et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units
Christine M. Isborn et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Solving lattice QCD systems of equations using mixed precision solvers on GPUs
M. A. Clark et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units
Andrey Asadchev et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds
Yuki Kurashige et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
Ivan S. Ufimtsev et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Quantum chemistry on graphical processing units.: 1.: Strategies for two-electron integral evaluation
Ivan S. Ufimtsev et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Accelerating resolution-of-the-identity second-order Moller-Plesset quantum chemistry calculations with graphical processing units
Leslie Vogt et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Two-electron integral evaluation on the graphics processor unit
Koji Yasuda
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Rounding error analysis of the classical Gram-Schmidt orthogonalization process
L Giraud et al.
NUMERISCHE MATHEMATIK (2005)
Density-matrix renormalization-group algorithms with nonorthogonal orbitals and non-Hermitian operators, and applications to polyenes
GKL Chan et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Convergence behavior of the density-matrix renormalization group algorithm for optimized orbital orderings
G Moritz et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group
GKL Chan et al.
JOURNAL OF CHEMICAL PHYSICS (2002)