Quadratic configuration interaction

Results: 4



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1Chemistry / Post-HartreeFock methods / Computational chemistry / Theoretical chemistry / Coupled cluster / Quadratic configuration interaction / Ab initio quantum chemistry methods / Davidson correction / Configuration interaction / Molecular vibration

CH+5: The neverending story or the final word? Peter R. Schreiner, SeungJoon Kim, Henry F. Schaefer, and Paul von Ragué Schleyer Citation: J. Chem. Phys. 99, ); doi: View online: http://dx.doi

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Source URL: wwwuser.gwdg.de

Language: English
2Quantum chemistry / Atomic physics / Quadratic configuration interaction / Ab initio quantum chemistry methods / Hartree–Fock method / Post-Hartree–Fock / Gaussian / Density functional theory / Dirac / Chemistry / Computational chemistry / Theoretical chemistry

A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Miquel Sola`, Jordi Mestres, Ramon Carbo´, and Miquel

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Source URL: dugi-doc.udg.edu

Language: English - Date: 2013-05-13 07:54:16
3Quantum chemistry / Molecular physics / Chemical properties / Quadratic configuration interaction / Ab initio quantum chemistry methods / Energy level / Chemistry / Theoretical chemistry / Computational chemistry

18 May[removed]Chemical Physics Letters[removed]±432

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Source URL: www.chem.wayne.edu

Language: English - Date: 2001-05-18 11:03:37
4Theoretical chemistry / Monomers / Functional groups / Quadratic configuration interaction / Hybrid functional / Alkene / Hartree–Fock method / Basis set / Ethylene oxide / Chemistry / Computational chemistry / Quantum chemistry

6092 J. Phys. Chem. A 1997, 101, [removed]

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Source URL: www.chem.wayne.edu

Language: English - Date: 2001-04-30 12:54:54
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