Challacombe, Matt - Theoretical Division, Los Alamos National Laboratory

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Challacombe, Matt - Theoretical Division, Los Alamos National Laboratory

Linear scaling computation of the Fock matrix 1 Matt Challacombe 2 and Eric Schwegler
Periodic boundary conditions and the Fast Multipole Method 2 Matt Challacombe 1 , Chris White, and Martin HeadGordon
Solving the twoelectron integral problem in HartreeFock theory Matt Challacombe and Eric Schwegler
Recurrence Relations for Calculation of the Cartesian Multipole Tensor
Linear scaling computation of the HartreeFock exchange matrix 1 Eric Schwegler and Matt Challacombe 2
A simplified density matrix minimization for linear scaling SCF theory 1 Matt Challacombe
A general parallel sparse-blocked matrix multiply for linear scaling SCF theory. 1 Matt Challacombe
A multipole acceptability criterion for electronic structure theory Eric Schwegler 1 and Matt Challacombe 2
Linear Scaling Computation of the Fock Matrix. VI. Data Parallel Computation of the Exchange-Correlation Matrix. x
Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix
Linear scaling computation of the Fock matrix. II. Rigorous bounds on exchange integrals and incremental Fock builds 1
Linear Scaling Computation of the Fock Matrix. V. Hierarchical Cubature for Numerical Integration of the Exchange-Correlation Matrix. xyy
Modern developments in HartreeFock theory: Fast methods for computing the Coulomb matrix. a
Linear scaling computation of the Hartree-Fock exchange matrix 1
Trace Re-Setting Density Matrix Puri cation in O(N) Self-Consistent-Field Theory x Anders M. N. Niklasson y , C. J. Tymczak z , and Matt Challacombe yy
Linear scaling computation of the Fock matrix. III. Formation of the exchange matrix with permutational symmetry