| 1 |
Locality and sparsity of ab initio one-particle density matrices and localized orbitals
Maslen PE, Ochsenfeld C, White CA, Lee MS, Head-Gordon M
Journal of Physical Chemistry A, 102(12), 2215, 1998 |
| 2 |
Local Weak Pairs Spectral and Pseudospectral Singles and Doubles Configuration-Interaction
Reynolds G, Martinez TJ, Carter EA
Journal of Chemical Physics, 105(15), 6455, 1996 |
| 3 |
Ab-Initio Finite Oligomer Method for Nonlinear-Optical Properties of Conjugated Polymers, Hartree-Fock Static Longitudinal Hyperpolarizability of Polyacetylene
Kirtman B, Toto JL, Robins KA, Hasan M
Journal of Chemical Physics, 102(13), 5350, 1995 |
| 4 |
A General Quantum-Chemical Approach to Study the Locally Perturbed Periodic-Systems - A New Development of the Ab-Initio Crystal Elongation Method
Mitani M, Imamura A
Journal of Chemical Physics, 103(2), 663, 1995 |
| 5 |
Application of the Elongation Method to the Calculation of Electronic-Structures of the Interface and the Local Defect States in a Polymer - An Analysis of the Periodicity in the Electronic States of a Nonperiodic Polymer by Using the Cluster-Series Calculation
Mitani M, Imamura A
Journal of Chemical Physics, 101(9), 7712, 1994 |
