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William D. Laidig - Publications

Affiliations: 
Procter & Gamble 
Area:
Comptational Chemistry
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18 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2009 Laidig WD, Purvis GD, Bartlett RJ. Localized orbitals in the coupled cluster singles and doubles model International Journal of Quantum Chemistry. 22: 561-573. DOI: 10.1002/Qua.560220848  0.375
1994 Bolton EE, Schaefer HF, Laidig WD, Schleyer PvR. Singlet C2H2Li2: Acetylenic and 1,2-Dilithioethene Isomers. A Remarkably Congested Potential Energy Hypersurface for a Simple Organometallic System Journal of the American Chemical Society. 116: 9602-9612. DOI: 10.1021/Ja00100A027  0.302
1987 Laidig WD, Saxe P, Bartlett RJ. The description of N2 and F2 potential energy surfaces using multireference coupled cluster theory The Journal of Chemical Physics. 86: 887-907. DOI: 10.1063/1.452291  0.36
1985 Laidig WD, Purvis GD, Bartlett RJ. Can simple localized bond orbitals and coupled cluster methods predict reliable molecular energies? The Journal of Physical Chemistry. 89: 2161-2171. DOI: 10.1021/J100257A007  0.336
1985 Fitzgerald G, Harrison R, Laidig WD, Bartlett RJ. Analytical gradient evaluation in coupled-cluster theory Chemical Physics Letters. 117: 433-436. DOI: 10.1016/0009-2614(85)80278-5  0.343
1984 Hoffmann MR, Laidig WD, Kim KS, Fox DJ, Schaefer HF. Electronic symmetry breaking in polyatomic molecules. Multiconfiguration self‐consistent field study of the cyclopropenyl radical C3H3 Journal of Chemical Physics. 80: 338-343. DOI: 10.1063/1.446452  0.477
1984 Adamowicz L, Laidig WD, Bartlett RJ. Analytical gradients for the coupled-cluster method International Journal of Quantum Chemistry. 26: 245-254. DOI: 10.1002/Qua.560260825  0.329
1984 Hoffmann MR, Laidig WD, Kim KS, Fox DJ, Schaefer HFI. Electronic Symmetry Breaking In Polyatomic Molecules. Multiconfiguration Self-Consistent Field Study Of The Cyclopropenyl Radical C3H3 Cheminform. 15. DOI: 10.1002/Chin.198415078  0.393
1983 Laidig WD, Purvis GD, Bartlett RJ. SCF and localized orbitals in ethylene: MBPT/CC results and comparison with one-million configuration Cl Chemical Physics Letters. 97: 209-214. DOI: 10.1016/0009-2614(83)85018-0  0.378
1981 Laidig WD, Schaefer HF. Large multiconfiguration self-consistent-field wave functions for the ozone molecule The Journal of Chemical Physics. 74: 3411-3414. DOI: 10.1063/1.441494  0.347
1980 Brooks BR, Laidig WD, Saxe P, Handy NC, Schaefer HF. The loop-driven graphical unitary group approach: A powerful method for the variational description of electron correlation Physica Scripta. 21: 312-322. DOI: 10.1088/0031-8949/21/3-4/013  0.515
1980 Laidig WD, Saxe P, Schaefer HF. Multiconfiguration self-consistent-field study of the importance of triply and quadruply excited electronic configurations in the water molecule The Journal of Chemical Physics. 73: 1765-1769. DOI: 10.1063/1.440312  0.389
1980 Laidig WD, Schaefer HF. Some characteristics of the intravalence triplet-triplet electronic transition in HCN The Journal of Chemical Physics. 73: 1470-1472. DOI: 10.1063/1.440222  0.346
1980 Brooks BR, Laidig WD, Saxe P, Goddard JD, Yamaguchi Y, Schaefer HF. Analytic gradients from correlated wave functions via the two‐particle density matrix and the unitary group approach The Journal of Chemical Physics. 72: 4652-4653. DOI: 10.1063/1.439707  0.475
1980 Brooks BR, Laidig WD, Saxe P, Schaefer HF. A multiconfiguration self‐consistent‐field formalism utilizing the two‐particle density matrix and the unitary group approach The Journal of Chemical Physics. 72: 3837-3838. DOI: 10.1063/1.439599  0.46
1979 Laidig WD, Schaefer HF. 1,1-DILITHIOETHYLENE. A GROUND-STATE TRIPLET OLEFIN WITH NEARLY FREE ROTATION ABOUT THE DOUBLE BOND Journal of the American Chemical Society. 101: 7184-7188. DOI: 10.1021/Ja00518A010  0.374
1979 Laidig W, Schaefer H. Additions and Corrections - Structures and Energetics of Planar and Tetrahedral Dilithiomethane. A Near Degeneracy of Singlet and Triplet Electronic States. Journal of the American Chemical Society. 101: 3706-3706. DOI: 10.1021/Ja00507A602  0.329
1978 Laidig WD, Schaefer HF. Structures and energetics of planar and tetrahedral dilithiomethane. A near degeneracy of singlet and triplet electronic states [20] Journal of the American Chemical Society. 100: 5972-5973. DOI: 10.1021/Ja00486A075  0.319
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