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1. Exploration on dual emission mechanism of CPzP and CPzPO with thermally activated delayed fluorescence.

2. Assessing frequency-dependent site polarisabilities in linear response polarisable embedding.

3. Early contributions to theoretical chemistry: Inga Fischer-Hjalmars, a founder of the Swedish school.

4. Werner Kutzelnigg – full of ideas.

5. Nuclear spin-spin coupling constants prediction based on XGBoost and LightGBM algorithms.

6. Spontaneous emission from nonhermitian perspective: complex scaling of the photon coordinates.

7. Gibbs’ paradox according to Gibbs and slightly beyond.

8. Coupled supersymmetry and ladder structures beyond the harmonic oscillator.

9. Statistical quasi-particle theory for open quantum systems.

10. Real eigenvalues of non-hermitian operators.

11. Calculations of the EPR g -tensor using unrestricted two- and four-component relativistic approaches within the HF and DFT frameworks.

12. Classical probability density distributions with uncertainty relations for ground states of simple non-relativistic quantum-mechanical systems.

13. Bonding description of the Harpoon mechanism.

14. QM/MM study of hydrolysis of arginine catalysed by arginase.

15. Mobility of carbon ions and C+(4P) in helium computed from quantum-mechanical transport cross sections.

16. On the exactness of time-propagators for periodically driven systems based on Fer expansion.

17. Standard deviations of chemical reaction rates and validity ranges of the statistical theory.

18. Charge-transfer-to-solvent states provide a sensitive spectroscopic probe of the local solvent structure around anions.

19. The quantum form of the reaction path Hamiltonian.

20. On the possibility of frozen nuclei.

21. Ultra-accurate thermophysical properties of helium-4 and helium-3 at low density. I. Second pressure and acoustic virial coefficients.

22. Eigen solutions of the Schrodinger equation with variable mass under the influence of the linear combination of modified Woods–Saxon and Eckart potentials in toroidal coordinate.

23. MQM 2019 Introduction.

24. Theoretical spectroscopy in the early days of digital computing – an homage to Sigrid D. Peyerimhoff.

25. Exceptional points of the Lindblad operator of a two-level system.

26. Molecular thermodynamics of a quantum Lennard-Jones fluid using an effective Mie potential and the SAFT-VR-Mie approach.

27. Computations of the chirality-sensitive effect induced by an antisymmetric indirect spin-spin coupling.

28. One- and two-photon absorption spectra of the yellow fluorescent protein citrine: effects of intramolecular electron-vibrational coupling and intermolecular interactions.

29. The symmetry group paradox for non-rigid molecules.

30. The dipnictenes R-E=E'-R' (E=P, As, Sb, Bi) revisited: a TDDFT and multi-reference study of some aspects of its electronic spectroscopy.

31. Spectral line shapes of collision-induced light scattering (CILS) and collision-induced absorption (CIA) using isotropic intermolecular potential for H2-Ar.

32. Towards laser control of open quantum systems: memory effects.

33. Factorisation of zero-width resonance wave functions.

34. Laser-induced electron diffraction: alignment defects and symmetry breaking.

35. Relative electronic and free energies of octane's unique conformations.

36. Local density approximation in site-occupation embedding theory.

37. A new force field for the adsorption of H 2 , O 2 , N 2 , CO, H 2 O, and H 2 S gases on alkali doped carbon nanotubes.

38. A critical investigation of proposed electrostatic corrections to quantum mechanical volumes: the importance of variation and the irrelevance of imbalance.

39. Nearsightedness-related indices of finite systems based on linear response function: one-dimensional cases.

40. Potential parameters and eigen spectra of improved Scarf II potential energy function for diatomic molecules

41. Transfer matrix approach to the curve crossing problems of two exponential diabatic potentials.

42. Towards an exact factorization of the molecular wave function.

43. Compressive sampling in configuration interaction wavefunctions.

44. Theoretical modelling of biomolecular systems I. Large-scale QM/MM calculations of hydrogen-bonding networks of the oxygen evolving complex of photosystem II.

45. An improved kinetic theory approach for calculating the thermal conductivity of polyatomic gases.

46. Quantum dynamics simulations in an ultraslow bath using hierarchy of stochastic Schrödinger equations

47. Persistence of non-local correlations and quantum information theoretic measures in the thermal state of frustrated molecular wheels

48. Separation of Dirac's Hamiltonian by Van Vleck transformation

49. The evaluation of some integrals that arise in the perturbation theory of liquids

50. Quantum polyhedra in LCAO MO theory