(Q58445637)

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On the convergence of the (ΔECCSD(T)−ΔEMP2) term for complexes with multiple H-bonds

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On the convergence of the (ΔECCSD(T)−ΔEMP2) term for complexes with multiple H-bonds (English)

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Pavel Hobza

2

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author name string

Petr Jurečka

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1

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publication date

October 2002

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published in

Chemical Physics Letters

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volume

365

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issue

1-2

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page(s)

89-94

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1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2802%2901423-9

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7 January 2021

Basis-set convergence in correlated calculations on Ne, N2, and H2O

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7 January 2021

Basis-set extrapolation

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7 January 2021

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

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7 January 2021

Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers

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7 January 2021

Electronic structure calculations on workstation computers: The program system turbomole

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7 January 2021

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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7 January 2021

Global Minimum of the Adenine···Thymine Base Pair Corresponds Neither to Watson−Crick Nor to Hoogsteen Structures. Molecular Dynamic/Quenching/AMBER and ab Initio beyond Hartree−Fock Studies

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7 January 2021

Nonplanar DNA Base Pairs

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7 January 2021

A many-body perturbation theory and coupled cluster study of the water dimer

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10.1016/S0009-2614(02)01423-9

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(Q58445637)

On the convergence of the (ΔECCSD(T)−ΔEMP2) term for complexes with multiple H-bonds

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