CCSD(T)/CBS fragment-based calculations of lattice energy of molecular crystals-Reference-Cited by-同舟云学术

CCSD(T)/CBS fragment-based calculations of lattice energy of molecular crystals

Published:2016-02-14 Issue:6 Volume:144 Page:064505
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Červinka Ctirad¹,Fulem Michal¹²,Růžička Květoslav¹

Affiliation:

1. Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technická 5, CZ-166 28 Prague 6, Czech Republic

2. Department of Semiconductors, Institute of Physics, Academy of Sciences of the Czech Republic, v. v. i., Cukrovarnická 10, CZ-162 00 Prague 6, Czech Republic

Funder

Czech Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4941055

Reference173 articles.

1. Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials

2. Non-conventional bonding between organic molecules. The 'halogen bond' in crystalline systems

3. Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

4. Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

5. Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties

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