about
Communication: convergence of anharmonic infrared intensities of hydrogen fluoride in traditional and explicitly correlated coupled cluster calculations.Convergence of third order correlation energy in atoms and molecules.Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure.Density fitting of two-electron integrals in extended systems with translational periodicity: the Coulomb problem.Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles.Implementation of the CCSD(T)-F12 method using cusp conditions.A study of the performance of high-level correlated methods: The energy, dipole moment, and polarizability functions of COInfluence of a new potential energy surface on the rotational (de)excitation of H$_{\mathsf 2}$O by H$_{\mathsf 2}$ at low temperatureA full nine-dimensional potential-energy surface for hydrogen molecule-water collisionsNLO responses of small polymethineimine oligomers: A CCSD(T) studyLongitudinal NLO properties of C2H2, HCCF, and C2F2: Electron correlation and vibration effectsParallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integralsSecond order explicitly correlated R12 theory revisited: a second quantization framework for treatment of the operators' partitioningsExplicitly correlated coupled cluster F12 theory with single and double excitationsR12-calibrated H2O-H2 interaction: full dimensional and vibrationally averaged potential energy surfacesAn explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Jozef Noga
@ast
Jozef Noga
@en
Jozef Noga
@es
Jozef Noga
@nl
Jozef Noga
@sl
type
label
Jozef Noga
@ast
Jozef Noga
@en
Jozef Noga
@es
Jozef Noga
@nl
Jozef Noga
@sl
prefLabel
Jozef Noga
@ast
Jozef Noga
@en
Jozef Noga
@es
Jozef Noga
@nl
Jozef Noga
@sl
P106
P1153
7003881337
P31
P496
0000-0003-3960-498X