| 1 |
Technique for incorporating the density functional Hessian into the geometry optimization of biomolecules, solvated molecules, and large floppy molecules
Chang R, Barile PA, Maslen PE
Journal of Chemical Physics, 120(18), 8379, 2004 |
| 2 |
An accurate local model for triple substitutions in fourth order Moller-Plesset theory and in perturbative corrections to singles and doubles coupled cluster methods
Maslen PE, Lee MS, Head-Gordon M
Chemical Physics Letters, 319(3-4), 205, 2000 |
| 3 |
Closely approximating second-order Moller-Plesset perturbation theory with a local triatomics in molecules model
Lee MS, Maslen PE, Head-Gordon M
Journal of Chemical Physics, 112(8), 3592, 2000 |
| 4 |
Noniterative local second order Moller-Plesset theory : Convergence with local correlation space
Maslen PE, Head-Gordon M
Journal of Chemical Physics, 109(17), 7093, 1998 |
| 5 |
A tensor formulation of many-electron theory in a nonorthogonal single-particle basis
Head-Gordon M, Maslen PE, White CA
Journal of Chemical Physics, 108(2), 616, 1998 |
| 6 |
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 |
| 7 |
Photodissociation, recombination, and electron transfer in cluster ions: A nonadiabatic molecular dynamics study of I-2(-)(CO2)(n)
Delaney N, Faeder J, Maslen PE, Parson R
Journal of Physical Chemistry A, 101(44), 8147, 1997 |
| 8 |
Recombination and Relaxation of Molecular-Ions in Size-Selected Clusters - Monte-Carlo and Molecular-Dynamics Simulations of I-2(-)-(CO2)(N)
Papanikolas JM, Maslen PE, Parson R
Journal of Chemical Physics, 102(6), 2452, 1995 |
| 9 |
Solvation of Electronically Excited I-2(-)
Maslen PE, Papanikolas JM, Faeder J, Parson R, Oneil SV
Journal of Chemical Physics, 101(7), 5731, 1994 |
