Arteum D. Bochevarov
Representative publications:
- ''Localized orbital corrections for the barrier heights in density functional theory,''
M. L. Hall, D. A. Goldfeld, A. Bochevarov, and R. A. Friesner
J. Chem. Theory Comput.,
5,
2996
(2009).
- ''Localized orbital corrections applied to thermochemical errors in density functional theory: The role of basis set and the application to molecular reactions,''
D. A. Goldfeld, A. D. Bochevarov, and R. A. Friesner
J. Chem. Phys.,
129,
214105
(2008).
- ''The densities produced by the density functional theory: Comparison to full configuration interaction,''
A. D. Bochevarov and R. A. Friesner
J. Chem. Phys.,
128,
34102
(2008).
- ''Some simple results following from Löwdin's partitioning technique,''
A. D. Bochevarov and C. D. Sherrill
J. Math. Chem.,
42,
59
(2007).
- ''Hybrid correlation models based on active-space partitioning: Seeking accurate O(N^5) ab initio methods for bond breaking,''
A. D. Bochevarov, B. Temelso, and D. C. Sherrill
J. Chem. Phys.,
125,
54109
(2006).
- ''Hybrid correlation models based on active-space partitioning: Correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions,''
A. D. Bochevarov and C. D. Sherrill
J. Chem. Phys.,
122,
234110
(2005).
- ''A general diagrammatic algorithm for contraction and subsequent simplification of second-quantized expressions,''
A. D. Bochevarov and C. D. Sherrill
J. Chem. Phys.,
121,
3374
(2004).
- ''The electron and nuclear orbital model: current challenges and future prospects,''
A. D. Bochevarov, E. F. Valeev and C. D. Sherrill
Mol. Phys.,
102,
111
(2004).
