Scaling in second order electron correlation calculations of potential energy curves and spectroscopic constants

Stephen Wilson Department of Theoretical Chemistry, University of Oxford, 1 South Parks Road, Oxford, OX1 3TG, EnglandView further author information

Vladimir Kellö Department of Physical Chemistry, Faculty of Science, Comenius University, Mlynska dolina, 842 15, Bratislava, Czechoslovakia

Jozef Noga Department of Physical Chemistry, Faculty of Science, Comenius University, Mlynska dolina, 842 15, Bratislava, Czechoslovakia

Miroslav Urban Department of Physical Chemistry, Faculty of Science, Comenius University, Mlynska dolina, 842 15, Bratislava, Czechoslovakia

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Timo Rajamäki , Mihály Kállay, Jozef Noga, Pierre Valiron & Lauri Halonen . (2004) High excitations in coupled-cluster series: vibrational energy levels of ammonia. Molecular Physics 102:21-22, pages 2297-2310.
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Siba Suliman, Michal Pitoňák, Ivan Cernusak & Florent Louis. (2020) On the applicability of the MP2.5 approximation for open-shell systems. Case study of atmospheric reactivity. Computational and Theoretical Chemistry 1186, pages 112901.
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D Moncrieff & S Wilson. (1998) A universal basis set for high-precision molecular electronic structure studies: correlation effects in the ground states of , CO, BF and. Journal of Physics B: Atomic, Molecular and Optical Physics 31:17, pages 3819-3841.
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S. Wilson. 1997. Problem Solving in Computational Molecular Science. Problem Solving in Computational Molecular Science 109 158 .

D Moncrieff & S Wilson. (1996) On the accuracy of the algebraic approximation in molecular electronic structure calculations: V. Electron correlation in the ground state of the nitrogen molecule. Journal of Physics B: Atomic, Molecular and Optical Physics 29:12, pages 2425-2451.
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Miroslav Urban, Ivan Černušák, Vladimír Kellö & Jozef Noga. 1987. Methods in Computational Chemistry. Methods in Computational Chemistry 117 250 .

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Scaling in second order electron correlation calculations of potential energy curves and spectroscopic constants

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Scaling in second order electron correlation calculations of potential energy curves and spectroscopic constants

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