česky | in English
Name (in English): Quantum information in biomolecules: transcription and replication of DNA using a soliton model
RIV/47813059:19630/20:A0000002 Proceedings paper. English. Czech Republic.
Hubač, Ivan (703 Slovakia, belonging to the institution) -- Blaschke, Filip (203 Czech Republic, belonging to the institution) -- Karpíšek, Ondřej Nicolas (203 Czech Republic, belonging to the institution)
Keywords in English: Quantum information; Majorana fermions; hydrogen bonds; solitons; DNA; transcription and replication of DNA
International impact: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 19/4/2021 15:33.
RIV/47813059:19240/17:A0000072 Proceedings paper. English. Czech Republic.
Hubač, Ivan (203 Czech Republic, guarantor, belonging to the institution) -- Švec, Miloslav (203 Czech Republic) -- Wilson, Stephen (826 United Kingdom of Great Britain and Northern Ireland)
Keywords in English: quantum entanglement; quantum entropy; biological systems
Type of proceedings: post-proceedings
International impact: yes
Reviewed: yes
Changed by: RNDr. Jan Hladík, Ph.D., učo 25379. Changed: 6/4/2018 09:24.
Name (in English): Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory
English.
Keywords in English: universal state-selective corrections; coupled-cluster theory
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 11/2/2021 14:37.
Name (in English): Theoretical study of the HeN22+ dication
English.
Keywords in English: Helio nitrogen molecular dication; HeN2+; Inert gas molecular ions
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 11/2/2021 14:30.
Name (in English): On the representation matrices for the symmetric group adapted to electron-pair and electron-group wave functions using graphical methods of spin algebras
English.
Keywords in English: Symmetric group; Electron pairs; Electron groups; Graphical methods; Representation matrices
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 11/2/2021 14:22.
Name (in English): The Lippmann-Schwinger equation in electron-molecule scattering theory and the many-body Brillouin-Wigner expansion
English.
Keywords in English: THEORY INCLUDING POLARIZATION, PERTURBATION-THEORY, NUCLEAR REACTIONS, ROTATIONAL EXCITATION, OPTICAL POTENTIALS, CROSS-SECTIONS, UNIFIED THEORY, ATOMS, COLLISIONS, SYSTEMS
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 11/2/2021 13:26.
Name (in English): Brillouin-Wigner Methods for Many-Body Systems
Keywords in English: Brillouin-Wigner perturbation theory, many-body problem, Rayleigh-Schrödinger perturbation theory, many-body perturbation theory
International impact: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 4/2/2021 09:56.
Name (in English): Theoretical study of the helio hydrogen cyanide dication HeCNH2+
English.
Keywords in English: helio hydrogen cyanide, HeCNH2?, inert gas molecules, interstellar molecules, MP2, CCSD, CCSD(T), CASSCF, CASPT2
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 27/1/2021 15:53.
Name (in English): Many-body Brillouin-Wigner second-order perturbation theory: an application to the autoaromatisation of hex-3-ene-1,5-diyne (the Bergman reaction)
English.
Keywords in English: electron correlation, multireference, Brillouin?Wigner, perturbation theory, Bergman reaction
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 27/1/2021 15:16.
Name (in English): The non-adiabatic molecular Hamiltonian: A derivation using quasiparticle canonical transformations
English.
Keywords in English: Many-Body Problem, QSCP, Quantum Mechanics, Theoretical Chemistry, Canonical Transformation, Molecular Hamiltonian
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 27/1/2021 14:47.
Name (in English): Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
English.
Keywords in English: electron correlation, multireference, perturbation theory, Brillouin-Wigner, second-order
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 27/1/2021 14:39.
Name (in English): Many-body Brillouin-Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH
English.
Keywords in English: FULL CONFIGURATION-INTERACTION, COUPLED-CLUSTER THEORY, POTENTIAL-ENERGY CURVES, DOUBLE-ZETA BASIS, POLARIZATION FUNCTIONS, ELECTRONIC-STRUCTURE, ROTATIONAL BARRIER, PADE APPROXIMANTS, GROUND-STATE, MOLECULE
International impact: yes
Reviewed: yes
Changed by: Mgr. Pavlína Jalůvková, učo 25213. Changed: 27/1/2021 14:34.