| 1 |
The quasi-independent curvilinear coordinate approximation for geometry optimization
Nemeth K, Challacombe M
Journal of Chemical Physics, 121(7), 2877, 2004 |
| 2 |
Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix
Gan CK, Tymczak CJ, Challacombe M
Journal of Chemical Physics, 121(14), 6608, 2004 |
| 3 |
Trace resetting density matrix purification in O/(N) self-consistent-field theory
Niklasson AMN, Tymczak CJ, Challacombe M
Journal of Chemical Physics, 118(19), 8611, 2003 |
| 4 |
Linear scaling computation of the Fock matrix. VI. Data parallel computation of the exchange-correlation matrix
Gan CK, Challacombe M
Journal of Chemical Physics, 118(20), 9128, 2003 |
| 5 |
Linear scaling computation of the Fock matrix. V. Hierarchical cubature for numerical integration of the exchange-correlation matrix
Challacombe M
Journal of Chemical Physics, 113(22), 10037, 2000 |
| 6 |
A simplified density matrix minimization for linear scaling self-consistent field theory
Challacombe M
Journal of Chemical Physics, 110(5), 2332, 1999 |
| 7 |
Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix
Schwegler E, Challacombe M
Journal of Chemical Physics, 111(14), 6223, 1999 |
| 8 |
A multipole acceptability criterion for electronic structure theory
Schwegler E, Challacombe M, Head-Gordon M
Journal of Chemical Physics, 109(20), 8764, 1998 |
| 9 |
Linear Scaling Computation of the Fock Matrix
Challacombe M, Schwegler E
Journal of Chemical Physics, 106(13), 5526, 1997 |
| 10 |
Linear Scaling Computation of the Fock Matrix .2. Rigorous Bounds on Exchange Integrals and Incremental Fock Build
Schwegler E, Challacombe M, Headgordon M
Journal of Chemical Physics, 106(23), 9708, 1997 |
