Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 103, 2005 - Issue 6-8: A Special Issue in Honour of Professor Nicholas C. Handy
48
Views
6
CrossRef citations to date
0
Altmetric
Original Articles

The spin−orbit energy estimated from two-component spin−orbit calculations as correction terms for the Gaussian-2 (G2) theory

Pages 925-929 | Received 29 Jul 2004, Accepted 28 Sep 2004, Published online: 21 Feb 2007

References

References

  • Curtiss , LA , Raghavachari , K , Trucks , GW and Pople , JA . 1991 . J. Chem. Phys. , 94 : 7221
  • Curtiss , LA , Raghavachari , K and Pople , JA . 1992 . J. Chem. Phys. , 98 : 1293
  • Blaudeau , JP and Curtiss , LA . 1997 . Int. J. Quantum Chem. , 61 : 943
  • Curtiss , LA , McGrath , MP , Blaudeau , JP , Davis , NE , Binning , RC Jr and Radom , L . 1995 . J. Chem. Phys. , 103 : 6104
  • Blaudeau , JP , McGrath , MP , Curtiss , LA and Radom , L . 1997 . J. Chem. Phys. , 107 : 5016
  • Redfern , PC , Blaudeau , JP and Curtiss , LA . 1997 . J. Phys. Chem. A , 101 : 8701
  • Duke , BJ . 2001 . J. Comput. Chem. , 22 : 1552
  • Ramakrishna , V and Duke , BJ . 2003 . J. Chem. Phys. , 118 : 6137
  • Hurley , MM , Pacios , LF , Christiansen , PA , Ross , RB and Ermler , WC . 1986 . J. Chem. Phys. , 84 : 6840
  • LaJohn , LA , Christiansen , PA , Ross , RB , Atashroo , T and Ermler , WC . 1987 . J. Chem. Phys. , 87 : 2812
  • Lee HS Cho WK Choi YJ Lee YS in press 2005
  • Glukhovtsev , MN , Pross , A , McGrath , MP and Radom , L . 1995 . J. Chem. Phys. , 103 : 1878
  • Frisch MJ Trucks GW Schlegel HB Scuseria GE Robb MA Cheeseman JR Zakrzewski VG Montgomery JA Stratmann RE Burant JC Dapprich S Millam JM Daniels AD Kudin KN Strain MC Farkas O Tomasi J Barone V Cossi M Cammi R Mennucci B Pomelli C Adamo C Clifford S Ochterski J Petersson GA Ayala PY Cui Q Morokuma K Malick DK Rabuck AD Raghavachari K Foresman JB Cioslowski J Ortiz JV Stefanov BB Liu G Liashenko A Piskorz P Komaromi I Gomperts R Martin RL Fox DJ Keith T Al-Laham MA Peng CY Nanayakkara A Gonzalez C Challacombe M Gill PMW Johnson BG Chen W Wong MW Andres JL Head-Gordon M Replogle ES Pople JA Gaussian 98, revision A.1 Gaussian, Inc. Pittsburgh PA 1998
  • Visscher , L , Visser , O , Aerts , PJC , Merenga , H and Nieuwpoort , WC . 1994 . Comput. Phys. Commun. , 81 : 120
  • Lee , HS , Han , YK , Kim , MC , Bae , C and Lee , YS . 1998 . Chem. Phys. Lett. , 293 : 97
  • Moore CE Atomic Energy Levels Volumes II and III National Bureau of Standards Washington DC NSRDS-NBS 35 1971
  • Huber KP Herzberg G Constants of Diatomic Molecules, Van Nostrand Reinhold New York 1979
  • Xie , J and Zare , RN . 1989 . Chem. Phys. Lett. , 159 : 399
  • Yencha , AJ , Ruf , MW and Hotop , H . 1994 . Z. Phys. D , 29 : 163
  • Lias SG Bartmess JE Liebman JF Holmes JL Levin RD Mallard WG J. Phys. Chem. Ref. Data 17 Suppl. 1 1988

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.