학술논문

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발행년	- (예 : 2010-2015)

Interoperable workflows by exchanging grid-based data between quantum-chemical program packages

Academic Journal

Focke, K.; Wolter, M.; Jacob, C.R.; De Santis, M.; Martinez B, J.A.; Vallet, V.; Pereira Gomes, A.S.; Olejniczak, M.

In: Journal of Chemical Physics. (Journal of Chemical Physics, 28 April 2024, 160(16))

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Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures

Academic Journal

Yuan, X.; Halbert, L.; Pereira Gomes, A.S.; Pototschnig, J.V.; Papadopoulos, A.; Visscher, L.; Coriani, S.

In: Journal of Chemical Theory and Computation. (Journal of Chemical Theory and Computation, 23 January 2024, 20(2):677-694)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory

Academic Journal

Yuan, X.; Halbert, L.; Pereira Gomes, A.S.; Visscher, L.

In: Journal of Chemical Theory and Computation. (Journal of Chemical Theory and Computation, 26 December 2023, 19(24):9248-9259)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations

Academic Journal

Yuan, X.; Pereira Gomes, A.S.

In: Journal of Chemical Physics. (Journal of Chemical Physics, 21 August 2022, 157(7))

Full Text (AIP) Web of Science JCR 저널정보 Scopus Find it@PNU

On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework

Academic Journal

Olejniczak, M.; Pereira Gomes, A.S.; Bast, R.

In: Physical Chemistry Chemical Physics. (Physical Chemistry Chemical Physics, 2017, 19(12):8400-8415)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

Electronic structure investigation of the evanescent AtO+ ion

Academic Journal

Pereira Gomes, A.S.; Réal, F.; Vallet, V.; Galland, N.; Angeli, C.; Cimiraglia, R.

In: Physical Chemistry Chemical Physics. (Physical Chemistry Chemical Physics, 28 May 2014, 16(20):9238-9248)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

The influence of core correlation on the spectroscopic constants of HAt

Academic Journal

Pereira Gomes, A.S.; Visscher, L.

In: Chemical Physics Letters. (Chemical Physics Letters, 21 November 2004, 399(1-3):1-6)

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Exact Gaussian expansions of Slater-type atomic orbitals

Academic Journal

Pereira Gomes, A.S.; Custodio, R.

In: Journal of Computational Chemistry. (Journal of Computational Chemistry, 30 July 2002, 23(10):1007-1012)

Full Text (Wiley Journals) Full Text (Wiley-DB) Web of Science JCR 저널정보 Scopus Find it@PNU

Predictive simulations of ionization energies of solvated halide ions with relativistic embedded Equation of Motion Coupled-Cluster Theory

Bouchafra, Y.; Réal, F.; Vallet, V.; Pereira Gomes, A.S.; Shee, A.

In: arXiv. (arXiv, 5 November 2018)

Scopus

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