Search Results - Šmydke, Jan

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  1. 1
    Using Koopmans' theorem for constructing basis sets: approaching high Rydberg excited states of lithium with a compact Gaussian basis

    Using Koopmans' theorem for constructing basis sets: approaching high Rydberg excited states of lithium with a compact Gaussian basis by Šmydke, Jan

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  2. 2
    Understanding the structure of complex multidimensional wave functions. A case study of excited vibrational states of ammonia

    Understanding the structure of complex multidimensional wave functions. A case study of excited vibrational states of ammonia by Šmydke, Jan, Császár, Attila G.

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  3. 3
    On the use of reduced-density matrices for the semi-automatic assignment of vibrational states

    On the use of reduced-density matrices for the semi-automatic assignment of vibrational states by Šmydke, Jan, Császár, Attila G.

    Published in Molecular physics
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  4. 4
    Rovibrational quantum dynamics of the vinyl radical and its deuterated isotopologues

    Rovibrational quantum dynamics of the vinyl radical and its deuterated isotopologues by Šmydke, Jan, Fábri, Csaba, Sarka, János, Császár, Attila G

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  5. 5
    Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster method

    Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster method by Pittner, Jiří, Šmydke, Jan

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  6. 6
    Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation

    Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation by Bhaskaran-Nair, Kiran, Demel, Ondřej, Šmydke, Jan, Pittner, Jiří

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  7. 7
    Gaussian basis sets for highly excited and resonance states of helium

    Gaussian basis sets for highly excited and resonance states of helium by Kaprálová-Ždánská, Petra Ruth, Šmydke, Jan

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  8. 8
    Excitation of helium Rydberg states and doubly excited resonances in strong extreme ultraviolet fields: full-dimensional quantum dynamics using exponentially tempered Gaussian basis sets

    Excitation of helium Rydberg states and doubly excited resonances in strong extreme ultraviolet fields: full-dimensional quantum dynamics using exponentially tempered Gaussian basi... by Kaprálová-Ždánská, Petra Ruth, Šmydke, Jan, Civiš, Svatopluk

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  9. 9
    Using Koopmans' theorem for constructing basis sets: Approaching high Rydberg excited states of lithium with a compact Gaussian basis

    Using Koopmans' theorem for constructing basis sets: Approaching high Rydberg excited states of lithium with a compact Gaussian basis by Šmydke, Jan

    Published in arXiv.org
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  10. 10
    State-specific Brillouin–Wigner multireference coupled cluster study of the F2 molecule: assessment of the a posteriori size-extensivity correction

    State-specific Brillouin–Wigner multireference coupled cluster study of the F2 molecule: assessment of the a posteriori size-extensivity correction by Pittner, Jiřı́, Šmydke, Jan, Čársky, Petr, Hubač, Ivan

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  11. 11
    State-specific Brillouin–Wigner multireference coupled cluster study of the F 2 molecule: assessment of the a posteriori size-extensivity correction

    State-specific Brillouin–Wigner multireference coupled cluster study of the F 2 molecule: assessment of the a posteriori size-extensivity correction by Pittner, Jiřı́, Šmydke, Jan, Čársky, Petr, Hubač, Ivan

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