The description of N2 and F2 potential energy surfaces using multireference coupled cluster theory WD Laidig, P Saxe, RJ Bartlett The Journal of chemical physics 86 (2), 887-907, 1987 | 400 | 1987 |
Analytic gradients from correlated wave functions via the two‐particle density matrix and the unitary group approach BR Brooks, WD Laidig, P Saxe, JD Goddard, Y Yamaguchi, HF Schaefer The Journal of chemical physics 72 (8), 4652-4653, 1980 | 387 | 1980 |
A multi-reference coupled-cluster method for molecular applications WD Laidig, RJ Bartlett Chemical physics letters 104 (5), 424-430, 1984 | 281 | 1984 |
Analytical gradients for the coupled‐cluster method L Adamowicz, WD Laidig, RJ Bartlett International Journal of Quantum Chemistry 26 (S18), 245-254, 1984 | 229 | 1984 |
The loop-driven graphical unitary group approach: a powerful method for the variational description of electron correlation BR Brooks, WD Laidig, P Saxe, NC Handy, HF Schaefer III Physica Scripta 21 (3-4), 312, 1980 | 172 | 1980 |
Can simple localized bond orbitals and coupled cluster methods predict reliable molecular energies? WD Laidig, GD Purvis, RJ Bartlett The Journal of Physical Chemistry 89 (11), 2161-2171, 1985 | 145* | 1985 |
Is fifth-order MBPT enough? WD Laidig, G Fitzgerald, RJ Bartlett Chemical physics letters 113 (2), 151-158, 1985 | 127 | 1985 |
Three‐dimensional structure of bradykinin in SDS micelles: Study using nuclear magnetic resonance, distance geometry, and restrained molecular mechanics and dynamics SC LEE, AF RUSSELL, WD LAIDIG International Journal of Peptide and Protein Research 35 (5), 367-377, 1990 | 95 | 1990 |
Analytic MBPT (2) second derivatives RJ Harrison, GB Fitzgerald, WD Laidig, RJ Barteltt Chemical physics letters 124 (3), 291-294, 1986 | 93 | 1986 |
Predictive method for polymers E Schneiderman, DT Stanton, T Trinh, WD Laidig, ML Kramer, ... US Patent 6,687,621, 2004 | 91 | 2004 |
Large multiconfiguration self‐consistent‐field wave functions for the ozone molecule WD Laidig, HF Schaefer III The Journal of chemical physics 74 (6), 3411-3414, 1981 | 87 | 1981 |
Analytical gradient evaluation in coupled-cluster theory G Fitzgerald, R Harrison, WD Laidig, RJ Bartlett Chemical physics letters 117 (5), 433-436, 1985 | 71 | 1985 |
SCF and localized orbitals in ethylene: MBPT/CC results and comparison with one-million configuration Cl WD Laidig, GD Purvis III, RJ Bartlett Chemical Physics Letters 97 (2), 209-214, 1983 | 70 | 1983 |
Structures and energetics of planar and tetrahedral dilithiomethane. A near degeneracy of singlet and triplet electronic states WD Laidig, HF Schaefer III Journal of the American Chemical Society 100 (18), 5972-5973, 1978 | 64 | 1978 |
Third‐order MBPT gradients G Fitzgerald, R Harrison, WD Laidig, RJ Bartlett The Journal of chemical physics 82 (9), 4379-4380, 1985 | 61 | 1985 |
Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof BP Murphy, RW Glenn Jr, MI Lim, JM Gardlik, SD Jones, WD Laidig, ... US Patent 7,297,168, 2007 | 47 | 2007 |
PSI 2.0. 8, PSITECH CL Janssen, ET Seidl, GE Scuseria, TP Hamilton, Y Yamaguchi, ... Inc., Watkinsville, GA 30677, 1995 | 36 | 1995 |
1, 1-Dilithioethylene. A ground-state triplet olefin with nearly free rotation about the double bond WD Laidig, HF Schaefer III Journal of the American Chemical Society 101 (24), 7184-7188, 1979 | 35 | 1979 |
Convergence properties of multireference many-body perturbation theory S Zarrabian, WD Laidig, RJ Bartlett Physical Review A 41 (9), 4711, 1990 | 32 | 1990 |
Singlet C2H2Li2: Acetylenic and 1, 2-Dilithioethene Isomers. A Remarkably Congested Potential Energy Hypersurface for a Simple Organometallic System EE Bolton, HF Schaefer III, WD Laidig, PR Schleyer Journal of the American Chemical Society 116 (21), 9602-9612, 1994 | 30 | 1994 |