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Double models

Christiansen O, Koch H, Jorgensen P (1995) The second-order approximate coupled cluster singles and doubles model CC2. Chem Phys Lett 243 409 t 18... [Pg.330]

Kohn, A., Richings, G.W., Tew, D.P. Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence. J. Chem. Phys. 2008, 129, 201103. [Pg.148]

Purvis III GD, Bartlett RJ (1982) A full coupled-cluster singles and doubles model The inclusion of disconnected triples. J Chem Phys 76 1910-1918... [Pg.133]

Korona T, Przybytek M, Jeziorski B. Time-independent coupled cluster theory of the polarization propagator. Implementation and application of the singles and doubles model to dynamic polarizabilities and Van der Waals constants, 2006. Submitted to Mol. Phys 104 2302-2316... [Pg.138]

Korona T, Moszynski R, Jeziorski B (2002) Electrostatic interactions between molecules from relaxed one-electron density matrices of die coupled cluster singles and doubles model. Mol Phys 100 1723-1734... [Pg.140]

G. D. Purvis and R. J. Bartlett,. Chem. Phys., 76, 1910 (1982). A Full Coupled-Cluster Singles and Doubles Model The Inclusion of Disconnected Triples. [Pg.125]

O. Christiansen, H. Koch, and P. Jorgensen, Chem. Phys. Lett., 243, 409 (1995). The Second-Order Approximate Coupled Cluster Singles and Doubles Model CC2. [Pg.130]

H. Koch, A. S. De Meras, T. Helgaker, and O. Christiansen, J. Chem. Phys., 104, 4157 (1996). The Integrals-Direct Coupled-Cluster Singles and Doubles Model. [Pg.133]

C. D. Sherrill, A. I. Krylov, E. F. C. Byrd, and M. Head-Gordon, /. Chem. Phys., 109, 4171 (1998). Energies and Analytic Gradients for a Coupled-Cluster Doubles Model Using Variational Brueckner Orbitals. Application to Symmetry Breaking in O4. [Pg.134]

Again the terms to be included were based on a perturbation order argument.6,16 The contribution of connected triples was shown numerically to be not inconsequential in applications of perturbation theory.19,20 More recently, Purvis and Bartlett16 reported the equations and initial implementation of a full coupled-cluster singles and doubles model (CCSD) this theory includes all terms in the first five parentheses, C0-C4, of Eq. (6) except for Ti, r4, and T Ti. The inclusion of disconnected terms is known to enhance the numerical stability of the coupled equations.21,22... [Pg.210]

J. M. Cullen and M. C. Zerner,/. Chem. Rhys., 77, 4088 (1982). The Linked Singles and Doubles Model An Approximate Theory of Electron Correlation Ba.sed on the Coupled-Cluster Ansatz. [Pg.359]

Purvis G D III and Bartlett R J 1982 A full ooupled-cluster singles and doubles model. The inclusion of disconneoted triples J. Chem. Phys. 76 1910... [Pg.2198]

Order Approximate Coupled Cluster Singles and Doubles Model CC2. [Pg.215]

Christiansen, O., Koch, H., and Jprgensen, P. (19956). The second-order approximate coupled cluster singles and doubles model CC2. Chem. Phys. Lett., 243, 409-418. Christiansen, O., Koch, H., and Jprgensen, P. (1996). Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies. J. Chem. Phys., 105, 1451-1459. [Pg.284]

CCSD, the coupled-cluster singles-and-doubles model... [Pg.375]

See other pages where Double models is mentioned: [Pg.107]    [Pg.380]    [Pg.73]    [Pg.307]    [Pg.107]    [Pg.394]    [Pg.616]    [Pg.69]    [Pg.85]    [Pg.288]    [Pg.32]    [Pg.201]   
See also in sourсe #XX -- [ Pg.104 ]



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A Simplified Double Layer Model (Constant Capacitance)

Classical model of the compact double layer at interfaces

Constant surface potential model Double layer interaction

Coupled cluster singles, doubles and triples model

Coupled-cluster doubles model

Coupled-cluster singles and doubles model

DNA double helix model

Diffuse double layer Guoy-Chapman model

Diffuse double layer, model electrochemical interface

Diffuse double-layer model

Diffusion diffuse double-layer model

Double Schottky barrier model

Double Stem model

Double activation model

Double bath model

Double bond dissociation using models

Double cube model

Double electrical layer Stern-Gouy Chapman model

Double exchange Zener model

Double first-order model

Double first-order model parameters

Double fracture model

Double fracture model materials

Double hard core model

Double harmonic model

Double helix molecular modeling

Double injection model

Double layer GCSG model

Double layer Helmholtz compact, model

Double layer model

Double layer model, Stern-Gouy-Chapman

Double layer model, coagulation

Double layer models: Bockris

Double layer models: Bockris Helmholtz

Double layer structure model

Double layer, capacitance/capacitor models

Double parallel-plate model

Double quartet model

Double receptor model

Double recognition models

Double refined bonding model

Double reptation model

Double sphere model

Double taper cone model

Double-couple model

Double-helix model

Double-layer capacitors electrical equivalent model

Double-zeta model

Electric double layer Gouy-Chapman model

Electric double layer electrostatic models

Electric double layer model

Electric double-layer diffuse model

Electrical double Stem-Graham model

Electrical double layer Gouy-Chapman model

Electrical double layer Stern model

Electrical double layer capacitor model

Electrical double-layer structure Helmholtz model

Fixed double layer, model

Fixed double layer, model electrochemical interface

Gouy-Chapman double layer model

Gouy-Chapman model of the double

Gouy-Chapman model of the double layer

Helmholtz double layer model

Helmholtz model of the double layer

Helmholtz model, electrical double-layer

Linear Coupled Cluster Doubles model

Mathematical models double-layer capacitance

Metal Helmholtz compact double-layer model

Model of the electric double layer

Models for the Electrical Double Layer

Oxide-solution interface diffuse double layer model

Parsons double-layer model

Potential surface model, double-minimum

Relaxation Double reptation model

Ribbon model of double-stranded B-DNA

Speciation models diffuse double layer

Stem double layer, model

Stem-Gouy-Chapman double layer model

Stern model of the double layer

Stern model, electric double

Stern model, electric double layer

Stern-Grahame double layer model

The Electrical Double-Layer Model

Transgenic mouse models double

Transient double-network model

Uncertainty Modeling and the Double Spikes

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