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A parallel implementation of the COLUMBUS multireference configuration interaction program
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Implementation of an electronic structure program system on the CYBER 205
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A data compression method applicable to first‐order convergent iterative procedures
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A progress report on the status of the COLUMBUSMRCI program system
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Portable tools and applications for parallel computers
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Unitary Group Approach to Configuration Interaction Calculations of the Electronic Structure of Atoms and Molecules
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Configuration Expansion by Means of Pseudonatural Orbitals
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The Method of Configuration Interaction
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The Direct Configuration Interaction Method from Molecular Integrals
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The Unitary Group for the Evaluation of Electronic Energy Matrix Elements
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The Graphical Unitary Group Approach and Its Application to Direct Configuration Interaction Calculations
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Pair Correlation Theories
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Configuration Interaction Description of Electron Correlation
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A parallel version of ARGOS: A distributed memory model for shared memory UNIX computers
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A new method for large-scale Cl calculations
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Applications of the CRAY-1 for quantum chemistry calculations
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The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
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The self-consistent electron pairs method for multiconfiguration reference state functions
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Parallel algorithms for quantum chemistry. I. Integral transformations on a hypercube multiprocessor
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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An extended set of FORTRAN basic linear algebra subprograms
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A set of level 3 basic linear algebra subprograms
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How to write parallel programs: a first course
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Parallel computation of second derivatives of RHF energy on distributed memory computers
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A massively parallel multireference configuration interaction program: The parallel COLUMBUS program
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Parallel internally contracted multireference configuration interaction
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The parallel implementation of configuration-selecting multireference configuration interaction method
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High Performance Computing in Computational Chemistry: Methods and Machines
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Parallelization of MRCI based on hole‐particle symmetry
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General atomic and molecular electronic structure system
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Parallel computation of the MP2 energy on distributed memory computers
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Massively parallel MP2‐F12 calculations on the K computer
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Parallel computational chemistry made easier: The development of NWChem
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Monte Carlo Configuration Interaction
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Accurate Configuration Interaction Computations of Potential Energy Surfaces using Massively Parallel Computers
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Massive Parallelism: the Hardware for Computational Chemistry?
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Global arrays: A nonuniform memory access programming model for high-performance computers
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An efficient data compression method for the Davidson subspace diagonalization scheme
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Parallel computing in quantum chemistry — message passing and beyond for a general ab initio program system
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Pseudospectral correlation methods on distributed memory parallel architectures
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Parallel computing in quantum chemistry — Message passing and beyond for a general ab initio program system
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Parallelization of the CI Program PEDICI
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The Configuration Interaction Method: Advances in Highly Correlated Approaches
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Parallel algorithms for coupled-cluster methods
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High Performance Computational Chemistry; NWChem and Fully Distributed Parallel Applications
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Similarity transformed equation of motion coupled-cluster study of excited states of selected azabenzenes
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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape
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Ultrafast excited-state dynamics of promising nucleobase ancestor 2,4,6-triaminopyrimidine
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Frontiers in electronic structure theory
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Estimating full configuration interaction limits from a Monte Carlo selection of the expansion space
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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
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Introducing MPEC: Massively parallel electron correlation
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The history and evolution of configuration interaction
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Global Arrays: a portable "shared-memory" programming model for distributed memory computers
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Multireference Brillouin-Wigner Coupled Cluster Singles and Doubles (MRBWCCSD) and Multireference Doubles Configuration Interaction (MRD-CI) Calculations for the Bergman Cyclization Reaction
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