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Author

  • Ludwik Adamowicz
2017

L1-regularisation of the coupled-cluster solutions

Ivanov, V. V., Berdnyk, M. I. & Adamowicz, L., Aug 1 2017, (Accepted/In press) In : Molecular Physics. p. 1-11 11 p.

Research output: Contribution to journalArticle

1 Scopus citations
2011
4 Scopus citations
2012

Calibration-quality adiabatic potential energy surfaces for H 3 + and its isotopologues

Pavanello, M., Adamowicz, L., Alijah, A., Zobov, N. F., Mizus, I. I., Polyansky, O. L., Tennyson, J., Szidarovszky, T. & Császár, A. G., May 14 2012, In : Journal of Chemical Physics. 136, 18, 184303.

Research output: Contribution to journalArticle

57 Scopus citations
2017

Eu@C72: Computed comparable populations of two non-IPR isomers

Slanina, Z., Uhlík, F., Nagase, S., Akasaka, T., Adamowicz, L. & Lu, X., Jul 1 2017, In : Molecules. 22, 7, 1053.

Research output: Contribution to journalArticle

8 Scopus citations
2012

UV-induced isomerization of β-alanine isolated in argon matrices

Stepanian, S. G., Ivanov, A. Y., Smyrnova, D. A. & Adamowicz, L., Oct 10 2012, In : Journal of Molecular Structure. 1025, p. 6-19 14 p.

Research output: Contribution to journalArticle

16 Scopus citations
2016

Charge asymmetry and rovibrational excitations of HD+

Jones, K., Kirnosov, N., Sharkey, K. L. & Adamowicz, L., Apr 1 2016, (Accepted/In press) In : Molecular Physics. p. 1-22 22 p.

Research output: Contribution to journalArticle

3 Scopus citations
2014

Lifetimes of rovibrational levels of HD +

Kirnosov, N., Sharkey, K. L. & Adamowicz, L., Jan 27 2014, In : Physical Review A - Atomic, Molecular, and Optical Physics. 89, 1, 012513.

Research output: Contribution to journalArticle

3 Scopus citations
2019

Ground and excited S 1 states of the beryllium atom

Hornyák, I., Adamowicz, L. & Bubin, S., Sep 4 2019, In : Physical Review A. 100, 3, 032504.

Research output: Contribution to journalArticle

1 Scopus citations
2015

π-Electron Calculations Using the Local Linear-Response Coupled-Cluster Singles and Doubles Theory

Zakharov, A. B., Ivanov, V. V. & Adamowicz, L., Dec 31 2015, In : Journal of Physical Chemistry C. 119, 52, p. 28737-28748 12 p.

Research output: Contribution to journalArticle

1 Scopus citations
2011

Calculated relative yields for Sc2S@C82 and Y2S@C82

Slanina, Z., Uhlík, F., Lee, S. L., Mizorogi, N., Akasaka, T. & Adamowicz, L., Oct 1 2011, In : Theoretical Chemistry Accounts. 130, 2-3, p. 549-554 6 p.

Research output: Contribution to journalArticle

10 Scopus citations
2012

Tautomeric transitions of isocytosine isolated in argon and neon matrices induced by UV irradiation

Ivanov, A. Y., Stepanian, S. G. & Adamowicz, L., Oct 10 2012, In : Journal of Molecular Structure. 1025, p. 92-104 13 p.

Research output: Contribution to journalArticle

18 Scopus citations

Explicitly correlated Gaussian calculations of the 2D Rydberg states of the boron atom

Sharkey, K. L., Bubin, S. & Adamowicz, L., Aug 14 2012, In : Journal of Chemical Physics. 137, 6, 064313.

Research output: Contribution to journalArticle

1 Scopus citations
2011
5 Scopus citations
2013

Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions

Kirnosov, N., Sharkey, K. L. & Adamowicz, L., Nov 28 2013, In : Journal of Chemical Physics. 139, 20, 204105.

Research output: Contribution to journalArticle

12 Scopus citations
2014

Communication: Visible line intensities of the triatomic hydrogen ion from experiment and theory

Petrignani, A., Berg, M. H., Grussie, F., Wolf, A., Mizus, I. I., Polyansky, O. L., Tennyson, J., Zobov, N. F., Pavanello, M. & Adamowicz, L., Dec 28 2014, In : Journal of Chemical Physics. 141, 24, 241104.

Research output: Contribution to journalArticle

11 Scopus citations
2011

Exponentially and pre-exponentially correlated Gaussians for atomic quantum calculations

Sharkey, K. L. & Adamowicz, L., Mar 7 2011, In : Journal of Chemical Physics. 134, 9, 094104.

Research output: Contribution to journalArticle

4 Scopus citations
2015
1 Scopus citations
2017

A computational characterization of CO@C60

Slanina, Z., Uhlík, F., Nagase, S., Akasaka, T., Adamowicz, L. & Lu, X., Nov 2 2017, In : Fullerenes Nanotubes and Carbon Nanostructures. 25, 11, p. 624-629 6 p.

Research output: Contribution to journalArticle

5 Scopus citations
2014

Computations on metallofullerenes derivatized during extraction: La@C 80-C6H3Cl2 and La@C 82-C6H3Cl2

Slanina, Z., Uhlík, F., Lee, S. L., Adamowicz, L., Kurihara, H., Nikawa, H., Lu, X., Yamada, M., Nagase, S. & Akasaka, T., Jan 1 2014, In : Fullerenes Nanotubes and Carbon Nanostructures. 22, 1-3, p. 173-181 9 p.

Research output: Contribution to journalArticle

4 Scopus citations
2019

Theoretical modeling of DNA electron hole transport through polypyrimidine sequences: a QM/MM study

Woźniak, A. P., Leś, A. & Adamowicz, L., Apr 1 2019, In : Journal of Molecular Modeling. 25, 4, 97.

Research output: Contribution to journalArticle

2015

Connecting a new non-adiabatic vibrational mass to the bonding mechanism of LiH: A quantum superposition of ionic and covalent states

Diniz, L. G., Alijah, A., Adamowicz, L. & Mohallem, J. R., May 30 2015, In : Chemical Physics Letters. 633, p. 89-94 6 p.

Research output: Contribution to journalArticle

5 Scopus citations
2018

Computed stabilization for a giant fullerene endohedral: Y2C2@C1(1660)-C108

Slanina, Z., Uhlík, F., Pan, C., Akasaka, T., Lu, X. & Adamowicz, L., Oct 16 2018, In : Chemical Physics Letters. 710, p. 147-149 3 p.

Research output: Contribution to journalArticle

8 Scopus citations
2016

Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2-

Buytendyk, A. M., Buonaugurio, A. M., Xu, S. J., Nilles, J. M., Bowen, K. H., Kirnosov, N. & Adamowicz, L., Jul 14 2016, In : Journal of Chemical Physics. 145, 2, 024301.

Research output: Contribution to journalArticle

9 Scopus citations
2012

Stability computations for isomers of La@C n (n = 72, 74, 76)

Slanina, Z., Uhlík, F., Lee, S. L., Adamowicz, L., Akasaka, T. & Nagase, S., Nov 1 2012, In : Molecules. 17, 11, p. 13146-13156 11 p.

Research output: Contribution to journalArticle

10 Scopus citations
2016

Evaluation of the relative stabilities of two non-IPR isomers of Sm@C76

Slanina, Z., Uhlík, F., Feng, L. & Adamowicz, L., May 3 2016, In : Fullerenes Nanotubes and Carbon Nanostructures. 24, 5, p. 339-344 6 p.

Research output: Contribution to journalArticle

8 Scopus citations
2019

Calculations of the Lu 3 N@C 80 two-isomer equilibrium

Slanina, Z., Uhlík, F., Feng, L., Akasaka, T., Lu, X. & Adamowicz, L., Jan 1 2019, In : Fullerenes Nanotubes and Carbon Nanostructures.

Research output: Contribution to journalArticle

2017

Sc2O@C78: Calculations of the yield ratio for two observed isomers

Slanina, Z., Uhlík, F., Feng, L. & Adamowicz, L., Feb 1 2017, In : Fullerenes Nanotubes and Carbon Nanostructures. 25, 2, p. 124-127 4 p.

Research output: Contribution to journalArticle

7 Scopus citations
2013

Vibrationally and rotationally nonadiabatic calculations on H 3+ using coordinate-dependent vibrational and rotational masses

Diniz, L. G., Mohallem, J. R., Alijah, A., Pavanello, M., Adamowicz, L., Polyansky, O. L. & Tennyson, J., Sep 12 2013, In : Physical Review A - Atomic, Molecular, and Optical Physics. 88, 3, 032506.

Research output: Contribution to journalArticle

35 Scopus citations

Selection of a Gaussian basis set for calculating the Bethe logarithm for the ground state of the hydrogen atom

Stanke, M., Adamowicz, L. & Kedziera, D., Jul 1 2013, In : Molecular Physics. 111, 9-11, p. 1063-1068 6 p.

Research output: Contribution to journalArticle

3 Scopus citations
2019

The 2S Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions

Bralin, A., Bubin, S., Stanke, M. & Adamowicz, L., Sep 1 2019, In : Chemical Physics Letters. 730, p. 497-505 9 p.

Research output: Contribution to journalArticle

2020

Eu@C86 isomers: Calculated relative populations

Slanina, Z., Uhlík, F., Bao, L., Akasaka, T., Lu, X. & Adamowicz, L., Jul 2 2020, In : Fullerenes Nanotubes and Carbon Nanostructures. 28, 7, p. 565-570 6 p.

Research output: Contribution to journalArticle

2016

Influence of oxygen-containing groups on vibrational spectra of oxide of graphene

Stepanian, S. G., Ivanov, O. Y., Adamowicz, L. & Karachevtsev, V. O., 2016, In : Nanosistemi, Nanomateriali, Nanotehnologii. 14, 4, p. 513-526 14 p.

Research output: Contribution to journalArticle

1 Scopus citations
2011

Noncovalent interaction of single-walled carbon nanotubes with 1-pyrenebutanoic acid succinimide ester and glucoseoxidase

Karachevtsev, V. A., Stepanian, S. G., Glamazda, A. Y., Karachevtsev, M. V., Eremenko, V. V., Lytvyn, O. S. & Adamowicz, L., Nov 3 2011, In : Journal of Physical Chemistry C. 115, 43, p. 21072-21082 11 p.

Research output: Contribution to journalArticle

29 Scopus citations
2015

Non-Born-Oppenheimer variational method for calculation of rotationally excited binuclear systems

Kirnosov, N., Sharkey, K. L. & Adamowicz, L., Oct 14 2015, In : Journal of Physics B: Atomic, Molecular and Optical Physics. 48, 19, 195101.

Research output: Contribution to journalArticle

6 Scopus citations
2018

A computational quantum-mechanical model of a molecular magnetic trap

Adamowicz, L., Stanke, M., Tellgren, E. & Helgaker, T., Dec 28 2018, In : Journal of Chemical Physics. 149, 24, 244112.

Research output: Contribution to journalArticle

1 Scopus citations
2017

Computational comparison of the water-dimer encapsulations into D2(22)-C84 and D2d(23)-C84

Slanina, Z., Uhlík, F., Nagase, S., Akasaka, T., Adamowicz, L. & Lu, X., 2017, In : ECS Journal of Solid State Science and Technology. 6, 6, p. M3113-M3115

Research output: Contribution to journalArticle

2 Scopus citations
2016

Statistical Contact Model for Confined Molecules

Santamaria, R., de la Paz, A. A., Roskop, L. & Adamowicz, L., Aug 1 2016, In : Journal of Statistical Physics. 164, 4, p. 1000-1025 26 p.

Research output: Contribution to journalArticle

2 Scopus citations
2015

Microscopic pressure-cooker model for studying molecules in confinement

Santamaria, R., Adamowicz, L. & Rosas-Acevedo, H., Apr 3 2015, In : Molecular Physics. 113, 7, p. 671-682 12 p.

Research output: Contribution to journalArticle

6 Scopus citations
2011

State-specific multireference coupled-cluster theory of molecular electronic excited states

Ivanov, V. V., Lyakh, D. I. & Adamowicz, L., Aug 31 2011, In : Annual Reports on the Progress of Chemistry - Section C. 107, p. 169-198 30 p.

Research output: Contribution to journalReview article

9 Scopus citations
7 Scopus citations

Calculations of metallofullerene yields

Slanina, Z., Uhlík, F., Lee, S. L., Adamowicz, L., Akasaka, T. & Nagase, S., Nov 1 2011, In : Journal of Computational and Theoretical Nanoscience. 8, 11, p. 2233-2239 7 p.

Research output: Contribution to journalArticle

16 Scopus citations
2014

Charge asymmetry in the rovibrationally excited HD molecule

Kirnosov, N., Sharkey, K. & Adamowicz, L., Mar 14 2014, In : Journal of Chemical Physics. 140, 10, 104115.

Research output: Contribution to journalArticle

6 Scopus citations
2013

Molecular dipole static polarisabilities and hyperpolarisabilities of conjugated oligomer chains calculated with the local π-electron coupled cluster theory

Ivanov, V. V., Zakharov, A. B. & Adamowicz, L., Dec 1 2013, In : Molecular Physics. 111, 24, p. 3779-3792 14 p.

Research output: Contribution to journalArticle

6 Scopus citations
2014

Accurate potential energy curve of the LiH+ molecule calculated with explicitly correlated Gaussian functions

Tung, W. C. & Adamowicz, L., Mar 28 2014, In : Journal of Chemical Physics. 140, 12, 124315.

Research output: Contribution to journalArticle

7 Scopus citations
2016

Effect of low-temperature argon matrices on IR spectra and structure of flexible N-acetylglycine molecules

Stepanian, S. G., Ivanov, A. Y. & Adamowicz, L., Dec 1 2016, In : Fizika Nizkikh Temperatur. 42, 12, p. 1492-1502 11 p.

Research output: Contribution to journalArticle

1 Scopus citations
2012

Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range

Pavanello, M., Adamowicz, L., Alijah, A., Zobov, N. F., Mizus, I. I., Polyansky, O. L., Tennyson, J., Szidarovszky, T., Császár, A. G., Berg, M., Petrignani, A. & Wolf, A., Jan 11 2012, In : Physical review letters. 108, 2, 023002.

Research output: Contribution to journalArticle

73 Scopus citations
2014

Non-Born-Oppenheimer calculations of the pure vibrational spectrum of T2 including relativistic corrections

Stanke, M. & Adamowicz, L., Oct 21 2014, In : Journal of Chemical Physics. 141, 15, 154302.

Research output: Contribution to journalArticle

3 Scopus citations
2011
27 Scopus citations
2012

Very accurate potential energy curve of the He 2 + ion

Tung, W. C., Pavanello, M. & Adamowicz, L., Mar 14 2012, In : Journal of Chemical Physics. 136, 10, 104309.

Research output: Contribution to journalArticle

27 Scopus citations