The path integral formalism is applied to derive the full partition function of a generalized Su–Schrieffer–Heeger Hamiltonian describing particle motion in a bath of oscillators. The electronic correlations are computed versus temperature for some choices of oscillator energies. We study the perturbing effect of a time-averaged particle path on the phonon subsystem, deriving the relevant temperature-dependent cumulant corrections to the harmonic partition function and free energy. The method has been applied to compute the total heat capacity up to room temperature: a low temperature upturn in the heat capacity over temperature ratio points to a glassy-like behaviour ascribable to a time-dependent electronic hopping with variable range in ...
This thesis presents and develops the path integral simulation techniques in application to small qu...
Harnessing the power of low-dimensional materials in thermal applications calls for a solid understa...
International audienceThe quantum harmonic oscillator is the fundamental building block to compute t...
The SSH Hamiltonian offers the fundamental framework for theoretical analysis in polymer physics. Af...
The partition function of an oscillator disturbed by a set of electron particle paths has been compu...
The electron motion along a chain is described by a continuum version of the Su-Schrieffer-Heeger Ha...
We investigate the time-resolved quantum transport properties of phonons in arbitrary harmonic syste...
We present an approximation to the thermal symmetric form of the quantum time-correlation function i...
We introduce a new approach for calculating quantum time-correlation functions and time-dependent ex...
We examine the role of nuclear quantum statistical effects in the vibrational spectroscopy of molecu...
We develop a theory for approximating quantum time-correlation functions using the classical dynamic...
Schofield's form of quantum time correlation functions is used as the starting point to derive a com...
International audienceCoherent phonon transport is regarded as a promising strategy for controlling ...
It is known one may use Feynman’s path integral approach to solve for a quantum propagator. Setting ...
This thesis presents and develops the path integral simulation techniques in application to small qu...
Harnessing the power of low-dimensional materials in thermal applications calls for a solid understa...
International audienceThe quantum harmonic oscillator is the fundamental building block to compute t...
The SSH Hamiltonian offers the fundamental framework for theoretical analysis in polymer physics. Af...
The partition function of an oscillator disturbed by a set of electron particle paths has been compu...
The electron motion along a chain is described by a continuum version of the Su-Schrieffer-Heeger Ha...
We investigate the time-resolved quantum transport properties of phonons in arbitrary harmonic syste...
We present an approximation to the thermal symmetric form of the quantum time-correlation function i...
We introduce a new approach for calculating quantum time-correlation functions and time-dependent ex...
We examine the role of nuclear quantum statistical effects in the vibrational spectroscopy of molecu...
We develop a theory for approximating quantum time-correlation functions using the classical dynamic...
Schofield's form of quantum time correlation functions is used as the starting point to derive a com...
International audienceCoherent phonon transport is regarded as a promising strategy for controlling ...
It is known one may use Feynman’s path integral approach to solve for a quantum propagator. Setting ...
This thesis presents and develops the path integral simulation techniques in application to small qu...
Harnessing the power of low-dimensional materials in thermal applications calls for a solid understa...
International audienceThe quantum harmonic oscillator is the fundamental building block to compute t...