IGNACIO JOSE
NEBOT GIL
CATEDRÁTICO/A DE UNIVERSIDAD
Jean Paul
Malrieu
Jean Paul Malrieu-rekin lankidetzan egindako argitalpenak (10)
1998
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Vertical spectrum of ethene: Uncontracted versus contracted correlation methods and the role of the adapted molecular orbitals
Chemical Physics Letters, Vol. 295, Núm. 3, pp. 181-188
1997
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Size-consistent single-reference methods for electronic correlation: A unified formulation through intermediate hamiltonian theory
Theoretical Chemistry Accounts, Vol. 95, Núm. 5-6, pp. 215-241
1996
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Applicability of size-consistent self-consistent configuration interaction to excited states
Chemical Physics Letters, Vol. 256, Núm. 6, pp. 589-594
1995
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Eigenvalue problem formulation of coupled-cluster expansions through intermediate Hamiltonians
Chemical Physics Letters, Vol. 234, Núm. 1-3, pp. 45-49
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Self-consistent intermediate Hamiltonians: A coupled cluster type formulation of the singles and doubles configuration interaction matrix dressing
The Journal of Chemical Physics, Vol. 103, Núm. 7, pp. 2576-2588
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Totally dressed SDCI calculations: An application to HF and F2
Theoretica Chimica Acta, Vol. 92, Núm. 4, pp. 241-252
1994
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Elementary presentation of self-consistent intermediate Hamiltonians and proposal of two totally dressed singles and doubles configuration interaction methods
The Journal of Chemical Physics, Vol. 100, Núm. 2, pp. 1440-1449
1982
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Diradicalar or Ionic Twisted Excited States in the Singlet Cis-Trans Isomerization of Polyenes?
Journal of the American Chemical Society, Vol. 104, Núm. 12, pp. 3320-3325
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General occurrence of polar twisted minima in the ionic singlet excited surfaces of polyenes
The Journal of Chemical Physics, Vol. 77, Núm. 5, pp. 2475-2482
1981
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CI calculations concerning the styrene cis-trans photoisomerization
Chemical Physics Letters, Vol. 84, Núm. 3, pp. 571-574