Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering

Описание

Тип публикации: статья из журнала

Год издания: 2017

Идентификатор DOI: 10.1038/srep43891

Аннотация: As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDOПоказать полностьюare delocalised in the bound (1a1 -1 2b1 2) core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow "canyon-like" shape of the potential of the (1a1 -1 2b1 2) state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state (1a1 -1 2b1 2). The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the (1a1 -1 2b1 2) state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate. © 2017 The Author(s).

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Издание

Журнал: Scientific Reports

Выпуск журнала: Vol. 7

ISSN журнала: 20452322

Авторы

  • Ignatova Nina (Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden; Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia)
  • Cruz Vinicius V. (Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden)
  • Couto Rafael C. (Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden; Univ Fed Goias, Inst Quim, Campus Samambaia,CP 131, BR-74001970 Goiania, Go, Brazil)
  • Ertan Emelie (Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden)
  • Zimin Andrey (Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden; Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia)
  • Guimaraes Freddy F. (Univ Fed Goias, Inst Quim, Campus Samambaia,CP 131, BR-74001970 Goiania, Go, Brazil)
  • Polyutov Sergey (Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia)
  • Agren Hans (Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden)
  • Kimberg Victor (Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden; Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia)
  • Odelius Michael (Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden)
  • Gel'mukhanov Faris (Royal Inst Technol, Theoret Chem & Biol, S-10691 Stockholm, Sweden; Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia)

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