Content: Explicitly correlated basis functions for large molecules / Claire C.M. Samson and Wirm Klopper --
Uniform density limit of exchange-correlation energy functionals / John P. Perdew, Jianmin Tao, and Stephan Kümmel --
Self-consistent Hartree-Fock-Wigner calculations: a two-electron-density functional theory / Darragh P. O'Neill and Peter M.W. Gill --
New alternatives for accurate electronic structure calculations of potential energy surfaces involving bond breaking / Piotr Piecuch ... [et al.] --
Bond breaking in quantum chemistry: a comparison of single-and multi-reference methods / C. David Sherrill ... [et al.] --
Breaking the curse of the non-dynamical correlation problem: the spin-flip method / Anna I. Krylov, Lyudmila V. Slipchenko, and Sergey V. Levchenko --
Economical description of electron correlation / Laimutis Bytautas and Klaus Ruedenberg --
Correlation consistent basis sets with relativistic effective core potentials: the transition metal elements Y and Hg / Kirk A. Peterson --
Multilevel methods for thermochemistry and thermochemical kinetics / Benjamin J. Lynch and Donald G. Truhlar --
A nonlocal energy functional derived from the fluctuation-dissipation theorem / Katharine L.C. Hunt --
The protonation site of aniline revisited: a 'torture test' for electron correlation methods / A. Daniel Boese ... [et al.] --
Equilibrium structure of the silicon trimer / John F. Stanton.
Author(s): Angela K. Wilson and Kirk A. Peterson (Eds.)
Series: ACS Symposium Series 958
Publisher: American Chemical Society
Year: 2007
Language: English
Pages: 217
C......Page 1
Methods......Page 3
D......Page 4
E......Page 5
Introduction......Page 2
F......Page 6
L......Page 8
M......Page 9
Q......Page 11
S......Page 12
4. Conclusions......Page 18
Improving the T1 and T2 Components by the Extended Coupled-Cluster Theory......Page 22
Summary and Concluding Remarks......Page 31
Acknowledgements......Page 32
References......Page 33
H......Page 7
N......Page 10
U......Page 13
Χ1Σ+ HgH+......Page 19
Y......Page 14
X4ΠYC......Page 16
X1Sg+ Hg2......Page 20
Summary......Page 23
References......Page 25
