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Ab initio modeling of conical intersection dynamics is crucial for various photochemical, photophysical, and biological processes. However, adiabatic electronic states obtained from electronic structure computations involve random phases,…

Chemical Physics · Physics 2024-06-13 Xiaotong Zhu , Bing Gu

Nonadiabaticity, i.e., the effect of mixing electronic states by nuclear motion, is a central phenomenon in molecular science. The strongest nonadiabatic effects arise due to the presence of conical intersections of electronic energy…

Chemical Physics · Physics 2020-04-01 Csaba Fábri , Benjamin Lasorne , Gábor J. Halász , Lorenz S. Cederbaum , Ágnes Vibók

The direct observation of non-adiabatic dynamics at conical intersections is a long-standing goal of molecular physics. Novel time-resolved spectroscopies have been proposed which are sensitive to electronic coherences induced by the…

Chemical Physics · Physics 2020-11-16 Simon P. Neville , Albert Stolow , Michael S. Schuurman

Conical intersections are ubiquitous in polyatomic molecules and responsible for a wide range of phenomena in chemistry and physics. We introduce and implement a local diabatic representation for the correlated electron-nuclear dynamics…

Quantum Physics · Physics 2023-10-18 Bing Gu

Nonadiabatic effects are ubiquitous in physics, chemistry and biology. They are strongly amplified by conical intersections (CIs) which are degeneracies between electronic states of triatomic or larger molecules. A few years ago it has been…

Atomic and Molecular Clusters · Physics 2014-11-25 Gábor J. Halász , Ágnes Vibók , Lorenz S. Cederbaum

Known methods for transverse confinement and guidance of light can be grouped into a few basic mechanisms, the most common being metallic reflection, total internal reflection and photonic-bandgap (or Bragg) reflection. All of them…

The geometric (Berry) phase of a two-level system in a dissipative environment is analyzed by using the second-quantized formulation, which provides a unified and gauge-invariant treatment of adiabatic and nonadiabatic phases and is thus…

Quantum Physics · Physics 2009-05-09 Kazuo Fujikawa , Ming-Guang Hu

Light-induced conical intersections (LICIs) can be formed both by standing or by running laser waves. The position of a LICI is determined by the laser frequency while the laser intensity controls the strength of the nonadiabatic coupling.…

Atomic and Molecular Clusters · Physics 2016-07-11 András Csehi , Gábor J. Halász , Lorenz S. Cederbaum , Ágnes Vibók

The second quantized approach to geometric phases is reviewed. The second quantization generally induces a hidden local (time-dependent) gauge symmetry. This gauge symmetry defines the parallel transport and holonomy, and thus it controls…

Quantum Physics · Physics 2011-03-17 Kazuo Fujikawa

Conical intersections are topologically protected crossings between the potential energy surfaces of a molecular Hamiltonian, known to play an important role in chemical processes such as photoisomerization and non-radiative relaxation.…

Quantum eigenstates undergoing cyclic changes acquire a phase factor of geometric origin. This phase, known as the Berry phase, or the geometric phase, has found applications in a wide range of disciplines throughout physics, including…

Quantum Physics · Physics 2010-09-13 J. M. Robbins

One of the intriguing effects due to conical intersections is the geometric phase, manifested as destructive quantum interference in the nuclear probability distribution. However, whether such geometric phaseinduced interference can survive…

Chemical Physics · Physics 2025-09-03 Xiang Li , Bing Gu

We observe energy-dependent angle-resolved diffraction patterns in protons from strong-field dissociation of the molecular hydrogen ion H$_2^+$. The interference is a characteristic of dissociation around a laser-induced conical…

Atomic and Molecular Clusters · Physics 2016-04-11 Adi Natan , Matthew R Ware , Vaibhav S. Prabhudesai , Uri Lev , Barry D. Bruner , Oded Heber , Philip H Bucksbaum

Physics arising from two-dimensional~(2D) Dirac cones has been a topic of great theoretical and experimental interest to studies of gapless topological phases and to simulations of relativistic systems. Such $2$D Dirac cones are often…

Mesoscale and Nanoscale Physics · Physics 2017-10-04 Raditya Weda Bomantara , Wenlei Zhao , Longwen Zhou , Jiangbin Gong

We show that geometric phases may be generated in a quantum system subject to noise by adiabatic manipulations of the fluctuating fields, e.g., by variation of the system-environment coupling. For a two-state quantum system we express this…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 S. V. Syzranov , Yu. Makhlin

Gate-based quantum computers can in principle simulate the adiabatic dynamics of a large class of Hamiltonians. Here we consider the cyclic adiabatic evolution of a parameter in the Hamiltonian. We propose a quantum algorithm to estimate…

Quantum Physics · Physics 2020-02-19 Bruno Murta , G. Catarina , J. Fernandez-Rossier

We consider the scattering of an atom by a sequence of two near-resonant standing light waves each formed by two running waves with slightly different wave vectors. Due to opposite detunings of the two standing waves and within the rotating…

Quantum Physics · Physics 2013-02-21 Polina V. Mironova , Maxim A. Efremov , Wolfgang P. Schleich

Topological phases emerge as the parameters of a quantum system vary with time. Under the adiabatic approximation, the time dependence can be eliminated, allowing the Berry topological phase to be obtained from a closed trajectory in…

Mesoscale and Nanoscale Physics · Physics 2025-04-30 Abdiel de Jesús Espinosa-Champo , Alejandro Kunold , Gerardo G. Naumis

By analyzing the vectorial Helmholtz equation within the thin-layer approach, we find that light acquires a novel geometrical phase, in addition to the usual one (the optical Berry phase), during the propagation along a curved path. Unlike…

Optics · Physics 2019-10-02 Meng-Yun Lai , Yong-Long Wang , Guo-Hua Liang , Hong-Shi Zong

On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…

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