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Lista de obras de Jozef Noga

A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions

scientific article published on 01 June 2005

A study of the performance of high-level correlated methods: The energy, dipole moment, and polarizability functions of CO

article

Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure

artículo científico publicado en 2011

An explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications

artículo científico publicado en 2012

Anharmonic vibrational analysis of water with traditional and explicitly correlated coupled cluster methods ⬇️

artículo científico publicado el 21 de agosto de 2010

Communication: convergence of anharmonic infrared intensities of hydrogen fluoride in traditional and explicitly correlated coupled cluster calculations.

artículo científico publicado en 2011

Convergence of third order correlation energy in atoms and molecules.

artículo científico publicado en 2007

Density fitting of two-electron integrals in extended systems with translational periodicity: the Coulomb problem

artículo científico publicado en 2006

Explicitly correlated coupled cluster F12 theory with single and double excitations

scientific article published on 01 May 2008

Implementation of the CCSD(T)-F12 method using cusp conditions

artículo científico publicado en 2008

Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.

artículo científico publicado en 2014

Influence of a new potential energy surface on the rotational (de)excitation of H$_{\mathsf 2}$O by H$_{\mathsf 2}$ at low temperature

artículo científico publicado en 2006

Longitudinal NLO properties of C2H2, HCCF, and C2F2: Electron correlation and vibration effects

article

NLO responses of small polymethineimine oligomers: A CCSD(T) study

article

Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals

R12-calibrated H2O-H2 interaction: full dimensional and vibrationally averaged potential energy surfaces

scientific article published on 01 October 2008

Second order explicitly correlated R12 theory revisited: a second quantization framework for treatment of the operators' partitionings

scientific article published on 01 July 2007

Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles

artículo científico publicado en 2010

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