Monika Musial

Prof. Dr. Monika Musial

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Research Focus & Metrics

Academic Career Length

27Years (2000-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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22 February 2007 in Reviews of Modern Physics
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RBRodney J. Bartlett
Rodney J. Bartlett
MMMonika Musial
Monika Musial
Today, coupled-cluster theory offers the most accurate results among the practical ab initio electronic-structure theories applicable to moderate-sized molecules. Though it was originally proposed for problems in physics, it has seen its greatest development in chemistry, enabling an extensive range of applications to molecular structure, excited states, properties, and all kinds of spectroscopy. In this review, the essential aspects of the theory are explained and illustrated with informative numerical results.

28 December 2011 in Chemical Reviews
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DLDmitry I. Lyakh
Dmitry I. Lyakh
MMMonika Musial
Monika Musial
VLVictor F. Lotrich
Victor F. Lotrich
RBRodney J. Bartlett
Rodney J. Bartlett

1 December 2002 in Computer Physics Communications
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Journal Article
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PPPiotr Piecuch
Piotr Piecuch
SKStanisław A. Kucharski
Stanisław A. Kucharski
KKKarol Kowalski
Karol Kowalski
MMMonika Musial
Monika Musial

26 October 2001 in The Journal of Chemical Physics
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SKStanisław A. Kucharski
Stanisław A. Kucharski
MWMarta Włoch
Marta Włoch
MMMonika Musial
Monika Musial
RBRodney J. Bartlett
Rodney J. Bartlett
The equation-of-motion coupled-cluster method with the full inclusion of the single, double, and triple excitations (EOM-CCSDT) has been formulated and implemented. The proper factorization procedure ensures that the method scales as n8, i.e., in the same manner as the standard CCSDT method for ground states. The method has been tested on the vertical excitation energies of the N2 and CO molecules for several basis sets up to 92 basis functions. The full inclusion of the triple excitations improves the EOM-CCSD results by up to 0.2 eV for considered systems.

6 January 2003 in The Journal of Chemical Physics
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MMMonika Musial
Monika Musial
SKStanisław A. Kucharski
Stanisław A. Kucharski
RBRodney J. Bartlett
Rodney J. Bartlett
The equation-of-motion (EOM) coupled cluster (CC) method with full inclusion of the connected triple excitations for ionization energies has been formulated and implemented. Using proper factorization of the three- and four-body parts of the effective Hamiltonian, an efficient computational procedure has been proposed for IP-EOM-CCSDT which at the EOM level requires no-higher-than nocc3nvir4 scaling. The method is calibrated by the evaluation of the valence vertical ionization potentials for CO, N2, and F2 molecules for several basis sets up to 160 basis functions. At the basis set limit, errors vary from 0.0 to 0.2 eV, compared to “experimental” vertical ionization potentials.

1 July 2004 in Theoretical Chemistry Accounts
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Journal Article
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PPP. Piecuch
P. Piecuch
KKK. Kowalski
K. Kowalski
IPI. S. O. Pimienta
I. S. O. Pimienta
PFP.-D. Fan
P.-D. Fan
MLM. Lodriguito
M. Lodriguito
MMMonika Musial
Monika Musial