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Study of approximate coupled cluster methods for first-order static properties

✍ Scribed by Sourav Pal

Book ID
104792286
Publisher
Springer
Year
1985
Tongue
English
Weight
448 KB
Volume
68
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Accuracy of the first-order density matr
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✍ Jerzy Cioslowski; John D. Watts πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 595 KB

The magnitudes of errors introduced in the first-order density matrices by approximating the full coupled-cluster single, double, and triple excitation method (CCSDT ) by the CCSDT-1 a, CCSDT-I b, CCSDT-2, CCSDT-3, CCSDT-4, CCSD+ T (CCSD ), and CCSD(T) techniques are investigated with the help of th

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The many-body perturbation theory and the coupled cluster method with first-order correlation orbitals are used to study the structure of the linear Cs molecule. Calculations produce the equilibrium geometry with the outer and inner bond lengths equal to 1.294 and 1.287 A, respectively. This corresp