| A diagnostic for determining the quality of single‐reference electron correlation methods TJ Lee, PR Taylor International Journal of Quantum Chemistry 36 (S23), 199-207, 1989 | 1519 | 1989 |
| The HITRAN2020 molecular spectroscopic database IE Gordon, LS Rothman, RJ Hargreaves, R Hashemi, EV Karlovets, ... Journal of quantitative spectroscopy and radiative transfer 277, 107949, 2022 | 1505 | 2022 |
| Taylor, P. R TJ Lee Int. J. Quantum Chem. Symp, 199, 1989 | 931 | 1989 |
| A doubles correction to electronic excited states from configuration interaction in the space of single substitutions M Head-Gordon, RJ Rico, M Oumi, TJ Lee Chemical Physics Letters 219 (1-2), 21-29, 1994 | 831 | 1994 |
| Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application AC Scheiner, GE Scuseria, JE Rice, TJ Lee, HF Schaefer III The Journal of chemical physics 87 (9), 5361-5373, 1987 | 487 | 1987 |
| The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations JML Martin, TJ Lee, PR Taylor, JP François The Journal of chemical physics 103 (7), 2589-2602, 1995 | 452 | 1995 |
| The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results GE Scuseria, AC Scheiner, TJ Lee, JE Rice, HF Schaefer III The Journal of chemical physics 86 (5), 2881-2890, 1987 | 440 | 1987 |
| Comparison of coupled‐cluster methods which include the effects of connected triple excitations GE Scuseria, TJ Lee The Journal of chemical physics 93 (8), 5851-5855, 1990 | 426 | 1990 |
| Theoretical investigations of molecules composed only of fluorine, oxygen and nitrogen: determination of the equilibrium structures of FOOF, (NO)2 and FNNF and the … TJ Lee, JE Rice, GE Scuseria, HF Schaefer Theoretica chimica acta 75, 81-98, 1989 | 380 | 1989 |
| Comparison of the quadratic configuration interaction and coupled-cluster approaches to electron correlation including the effect of triple excitations TJ Lee, AP Rendell, PR Taylor Journal of Physical Chemistry 94 (14), 5463-5468, 1990 | 361 | 1990 |
| Formulation and implementation of a relativistic unrestricted coupled‐cluster method including noniterative connected triples L Visscher, TJ Lee, KG Dyall The Journal of chemical physics 105 (19), 8769-8776, 1996 | 349 | 1996 |
| Systematic study of molecular anions within the self‐consistent‐field approximation: OH−, CN−, C2H−, NH− 2, and CH− 3 TJ Lee, HF Schaefer The Journal of chemical physics 83 (4), 1784-1794, 1985 | 340 | 1985 |
| The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule JE Rice, RD Amos, NC Handy, TJ Lee, HF Schaefer III The Journal of chemical physics 85 (2), 963-968, 1986 | 332 | 1986 |
| An accurate ab initio quartic force field and vibrational frequencies for CH4 and isotopomers TJ Lee, JML Martin, PR Taylor The Journal of chemical physics 102 (1), 254-261, 1995 | 269 | 1995 |
| Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene S Hirata, TJ Lee, M Head-Gordon The Journal of chemical physics 111 (19), 8904-8912, 1999 | 252 | 1999 |
| Comparison of the T1 and D1 diagnostics for electronic structure theory: a new definition for the open-shell D1 diagnostic TJ Lee Chemical physics letters 372 (3-4), 362-367, 2003 | 249 | 2003 |
| Coupled‐cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks AP Rendell, TJ Lee The Journal of chemical physics 101 (1), 400-408, 1994 | 227 | 1994 |
| Open‐shell coupled‐cluster theory D Jayatilaka, TJ Lee The Journal of chemical physics 98 (12), 9734-9747, 1993 | 223 | 1993 |
| On the necessity of f basis functions for bending frequencies ED Simandiras, JE Rice, TJ Lee, RD Amos, NC Handy The Journal of chemical physics 88 (5), 3187-3195, 1988 | 217 | 1988 |
| Analytic gradients for coupled‐cluster energies that include noniterative connected triple excitations: Application to cis‐ and trans‐HONO TJ Lee, AP Rendell The Journal of chemical physics 94 (9), 6229-6236, 1991 | 212 | 1991 |
Xinchuan HuangSETI Institute / NASA Ames Research CenterVerified email at nasa.gov
