Is combining meta-GGA correlation functionals with the OPTX exchange functional useful? (English)
- New search for: Proynov, Emil I.
- New search for: Proynov, Emil I.
- New search for: Thakkar, Ajit J.
In:
International journal of quantum chemistry
;
106
, 2
; 436-446
;
2006
-
ISSN:
- Article (Journal) / Print
-
Title:Is combining meta-GGA correlation functionals with the OPTX exchange functional useful?
-
Contributors:Proynov, Emil I. ( author ) / Thakkar, Ajit J.
-
Published in:International journal of quantum chemistry ; 106, 2 ; 436-446
-
Publisher:
- New search for: Wiley
-
Place of publication:New York, NY
-
Publication date:2006
-
ISSN:
-
ZDBID:
-
Type of media:Article (Journal)
-
Type of material:Print
-
Language:English
- New search for: 35.11
- Further information on Basic classification
- New search for: 770/3615
-
Keywords:
-
Classification:
-
Source:
Table of contents – Volume 106, Issue 2
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 355
-
Recursion formula for electron repulsion integrals over Hermite polynomialsFletcher, G. D. et al. | 2006
- 361
-
Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theoryPutz, Mihai V. et al. | 2006
- 390
-
Behavior of the Dirichlet boundary for wave functions in a class of singular potentialsBandyopadhyay, S. K. / Bhattacharyya, K. et al. | 2006
- 401
-
General approach for the construction of hybrid orbitalsÁlvarez‐Bajo, O. / Lemus, R. et al. | 2006
- 415
-
Ladder operators for the Kratzer oscillator and the Morse potentialSingh, C. Amuba / Devi, O. Babynanda et al. | 2006
- 426
-
Generalized Wiener indices in hexagonal chainsEu, Sen‐Peng / Yang, Bo‐Yin / Yeh, Yeong‐Nan et al. | 2006
- 436
-
Is combining meta‐GGA correlation functionals with the OPTX exchange functional useful?Proynov, Emil I. / Thakkar, Ajit J. et al. | 2006
- 447
-
Kernel energy method: Basis functions and quantum methodsHuang, Lulu / Massa, Lou / Karle, Jerome et al. | 2006
- 458
-
Schrödinger–Riccati equation: Feasibility study for the He‐isoelectronic seriesFraga, Serafin / García De La Vega, José M. / Fraga, Eric S. et al. | 2006
- 458
-
Schrodinger-Riccati Equation: Feasibility Study for the He-Isoelectronic SeriesFraga, S. / De La Vega, J. M. G. / Fraga, E. S. et al. | 2006
- 465
-
Spectral properties of helium‐like ions under strongly coupled plasma conditionsSil, A. N. / Mukherjee, P. K. et al. | 2006
- 478
-
Exact solutions for spherically confined hydrogen‐like atomsBurrows, B. L. / Cohen, M. et al. | 2006
- 485
-
Bare Coulomb field and atomic reciprocal form factorAngulo, J. C. / Romera, E. et al. | 2006
- 490
-
Effect of water on zinc (II), cadmium (II) complexes with pyridylimidazole: Theoretical study of stability and electronic spectrumLiao, Yi / Su, Zhong‐Min / Kan, Yu‐He / Yue, Shu‐Mei / Ma, Jian‐Fang / Yang, Ji‐Hua et al. | 2006
- 501
-
CASSCF study into the mechanism for predissociation of the allyl radicalShahu, Milena et al. | 2006
- 507
-
Role of angular electron pair correlation in stabilizing CDifley, Seth / Simons, Jack et al. | 2006
- 507
-
Role of Angular Electron Pair Correlation in Stabilizing C~6~0^2^-Difley, S. / Simons, J. et al. | 2006
- 514
-
Reaction of CH3O2 and HO2: Ab initio characterization of dimer structure and vibrational mode analysis for reaction mechanismsZhou, Xin‐Ming / Zhou, Zheng‐Yu / Wu, Qun‐Yan / Jalbout, Abraham F. / Zhang, Nan et al. | 2006
- 526
-
Studies of equilibrium geometries and electronic spectra for C78O4Wu, Shi / Teng, Qiwen et al. | 2006
- 533
-
Feynman propagator and Slater sum for a model Hamiltonian motivated by H in an intense magnetic fieldAmovilli, Claudio / March, Norman H. et al. | 2006
- 542
-
Theoretical Study of Structural Features of Endo, Exo Double Bonds and Side Chain in 14alpha-Demethylation of LanosterolCabrera-Vivas, B. M. / Pineda, F. P. / Garcia-Hidalgo, S. / Munoz-Arenas, M. G. / Melendez, F. J. / Reyes-Ortega, Y. / Ramirez, J. C. et al. | 2006
- 542
-
Theoretical study of structural features of endo, exo double bonds and side chain in 14α‐demethylation of lanosterolCabrera‐Vivas, B. M. / Pineda, Flor P. / García‐Hidalgo, S. / Múñoz‐Arenas, M. G. / Meléndez, F. J. / Reyes‐Ortega, Y. / Ramírez, Juan Carlos et al. | 2006
- 542
-
Theoretical study of structural features of endo, exo double bonds and side chain in 14a-demethylation of lanosterolCabrera-Vivas, B.M. et al. | 2006
- 550
-
Comment on “New methods for old Coulomb few‐body problems”Zotev, V. S. et al. | 2006
- 552
-
Re: Comment on “New methods for old Coulomb few‐body problems”Harris, Frank E. / Frolov, Alexei M. / Smith, Vedene H. Jr. et al. | 2006
- 554
-
Catalina Soriano‐Correa, Angélica Raya, Juan F. Sánchez‐Ruiz, Rodolfo O. Esquivel, Electronic and physicochemical properties of selected nitrofurans: A theoretical studyInternational Journal of Quantum Chemistry (2005)104(4)491–496| 2006