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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 39, 1980 - Issue 2
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Research notes

Application of linear response function theory in a coupled-cluster framework

Calculation of π-π* singlet excitation energies of conjugated systems

S.S.Z. Adnan Department of Pure Chemistry, University of Calcutta, Calcutta, 700 009, India
,
S. Bhattacharya Department of Pure Chemistry, University of Calcutta, Calcutta, 700 009, India
&
D. Mukherjee Theory Group, Department of Physical Chemistry, Indian Association for the Cultivation of Science, Calcutta, 700032, India
Pages 519-524 | Received 26 Jun 1979, Published online: 16 Aug 2006

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Somnath Ghosh, Debashis Mukherjee & Subirnath Bhattacharyya. (1981) Application of linear response theory in a coupled cluster framework for the calculation of ionization potentials. Molecular Physics 43:1, pages 173-179.
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Articles from other publishers (33)

Rajat K. Chaudhuri, S.L.N.G. Krishnamachari & Karl F. Freed. (2006) Ab initio description of the ground and excited states of cyanogen isomers. Journal of Molecular Structure: THEOCHEM 768:1-3, pages 119-126.
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Malaya K. Nayak, Rajat K. Chaudhuri, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2006) Applications of core-valence extensive multi-reference coupled cluster theory and core-extensive coupled cluster-based linear response theory. Journal of Molecular Structure: THEOCHEM 768:1-3, pages 133-140.
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Rajat Chaudhuri. (2003) Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors. International Journal of Molecular Sciences 4:12, pages 586-594.
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Sigalit Berkovic & Uzi Kaldor. (1993) Degeneracy breaking in the Hilbert-space coupled cluster method. The Journal of Chemical Physics 98:4, pages 3090-3094.
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Sigalit Berkovic & Uzi Kaldor. (1992) Hilbert space coupled-cluster method in an incomplete model space. Chemical Physics Letters 199:1-2, pages 42-46.
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Uzi Kaldor. 1992. Applied Many-Body Methods in Spectroscopy and Electronic Structure. Applied Many-Body Methods in Spectroscopy and Electronic Structure 213 231 .
Barnali Kundu & Debashis Mukherjee. (1991) Property calculations by coupled cluster based linear response theory: dynamic polarizability and van der Waals coefficient. Chemical Physics Letters 179:5-6, pages 468-474.
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Uzi Kaldor. (1991) Na 2 Ground and Excited States by the Open-Shell Coupled-Cluster Method . Israel Journal of Chemistry 31:4, pages 345-349.
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Miha Tiŝler & Branko Stanovnik. 1990. Advances in Heterocyclic Chemistry Volume 49. Advances in Heterocyclic Chemistry Volume 49 385 474 .
Uzi Kaldor. (1990) Li2 ground and excited states by the open-shell coupled-cluster method. Chemical Physics 140:1, pages 1-6.
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Uzi Kaldor, Szczepan Roszak, P. C. Hariharan & Joyce J. Kaufman. (1989) Multireference coupled cluster and multireference configuration interaction studies of the potential surfaces for deprotonation of NH+4. The Journal of Chemical Physics 90:11, pages 6395-6400.
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Debashis Mukherjee & Sourav Pal. 1989. Advances in Quantum Chemistry Volume 20. Advances in Quantum Chemistry Volume 20 291 373 .
Uzi Kaldor. 1989. Many-Body Methods in Quantum Chemistry. Many-Body Methods in Quantum Chemistry 199 213 .
Uzi Kaldor. (1988) Intruder states and incomplete model spaces in multireference coupled-cluster theory: The 2 states of Be . Physical Review A 38:12, pages 6013-6016.
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Sigalit Ben-Shlomo & Uzi Kaldor. (1988) The open-shell coupled-cluster method in general model space: Five states of LiH. The Journal of Chemical Physics 89:2, pages 956-958.
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Leszek Z. Stolarczyk & Hendrik J. Monkhorst. (1988) Coupled-cluster method in Fock space. IV. Calculation of expectation values and transition moments. Physical Review A 37:6, pages 1926-1933.
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Uzi Kaldor & Sigalit Ben-Shlomo. 1989. The Structure of Small Molecules and Ions. The Structure of Small Molecules and Ions 197 208 .
Uzi Kaldor. 1988. Condensed Matter Theories. Condensed Matter Theories 83 92 .
Uzi Kaldor. (1987) The open-shell coupled-cluster method: Excitation energies and ionization potentials of H2O. The Journal of Chemical Physics 87:1, pages 467-471.
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Uzi Kaldor. (1987) Open-shell coupled-cluster method: Electron affinities of Li and Na. Journal of Computational Chemistry 8:4, pages 448-453.
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Uzi Kaldor & Azizul Haque. (1986) Open-shell coupled-cluster method: Direct calculation of excitation energies. Chemical Physics Letters 128:1, pages 45-48.
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Dhiman Sinha, Saroj Kr. Mukhopadhay, M.Durga Prasad & Debashis Mukherjee. (1986) Molecular applications of open-shell coupled cluster theory for energy difference calculations: ionization and auger spectra of F2. Chemical Physics Letters 125:3, pages 213-217.
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Uzi Kaldor. (1986) Direct calculation of excitation energies by the coupled-cluster method: Mg and Ar atoms. International Journal of Quantum Chemistry 30:S20, pages 445-453.
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O Kitao & H Nakatsuji. (1986) Cluster expansion of the wave function. Potential energy curves of the ground and excited states of CO. Journal of Chemical Sciences 96:3-4, pages 155-166.
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Azizul Haque & Uzi Kaldor. (1985) Three-electron excitation in open-shell coupled-cluster theory. Chemical Physics Letters 120:3, pages 261-265.
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Azizul Haque & Uzi Kaldor. (1985) Open-shell coupled-cluster theory applied to atomic and molecular systems. Chemical Physics Letters 117:4, pages 347-351.
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Saroj K. Mukhopadhyay, Dhiman Sinha, M. Durga Prasad & Debashis Mukherjee. (1985) Molecular applications of coupled-cluster-based linear response theory: Inner and outer valence ionization potentials of nitrogen and water. Chemical Physics Letters 117:5, pages 437-443.
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Somnath Ghosh & Debashis Mukherjee. (1984) Use of cluster expansion techniques in quantum chemistry. A linear response model for calculating energy differences. Proceedings / Indian Academy of Sciences 93:6, pages 947-963.
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Md. Azizul Haque & Debashis Mukherjee. (1984) Application of cluster expansion techniques to open shells: Calculation of difference energies. The Journal of Chemical Physics 80:10, pages 5058-5069.
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Esper Dalgaard & Hendrik J. Monkhorst. (1983) Some aspects of the time-dependent coupled-cluster approach to dynamic response functions. Physical Review A 28:3, pages 1217-1222.
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Somnath Ghosh, Debashis Mukherjee & Subir Nath Bhattacharyya. (1982) A spin-adapted linear response theory in a coupled-cluster framework for direct calculation of spin-allowed and spin-forbidden transition energies. Chemical Physics 72:1-2, pages 161-176.
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S.S.Z. Aadnan, S. Bhattacharyya & D. Mukherjee. (1982) Application of a spin-adapted coupled-cluster based linear response theory. Chemical Physics Letters 85:2, pages 204-211.
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M Durga Prasad, Sourav Pal & D Mukherjee. (1980) An alternative definition of the electron propagator in the superoperator form and its relation to linear response theory in a coupled-cluster framework. Pramana 15:6, pages 531-543.
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