Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Ionuţ Georgescu"'
Publikováno v:
The Journal of chemical physics. 139(20)
Given a quantum many-body system, the Self-Consistent Phonons (SCP) method provides an optimal harmonic approximation by minimizing the free energy. In particular, the SCP estimate for the vibrational ground state (zero temperature) appears to be sur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::013927b11851ddba838f820fbcffdc4e
https://pubmed.ncbi.nlm.nih.gov/24289341
https://pubmed.ncbi.nlm.nih.gov/24289341
Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulations
Publikováno v:
The Journal of chemical physics. 138(13)
In order to address the issue of whether neon liquid in coexistence with its gas phase can be mapped to a quantum Lennard-Jones (LJ) fluid, we perform a series of simulations using Gibbs ensemble Monte Carlo for a range of de Boer quantum parameters
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::584478883b2188e887925699f049aff3
https://pubmed.ncbi.nlm.nih.gov/23574239
https://pubmed.ncbi.nlm.nih.gov/23574239
Publikováno v:
The Journal of chemical physics. 137(14)
The theory of self-consistent phonons (SCP) was originally developed to address the anharmonic effects in condensed matter systems. The method seeks a harmonic, temperature-dependent Hamiltonian that provides the "best fit" for the physical Hamiltoni
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3346bf2f826c84766aed166e3c17d99b
https://pubmed.ncbi.nlm.nih.gov/23061838
https://pubmed.ncbi.nlm.nih.gov/23061838
Publikováno v:
The Journal of chemical physics. 135(15)
The Variational Gaussian wavepacket (VGW) method is an alternative to Path Integral Monte-Carlo (PIMC) for the computation of thermodynamic properties of many-body systems at thermal equilibrium. It provides a direct access to the thermal density mat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::330436f1e7d03571c7808227d335e7bd
https://pubmed.ncbi.nlm.nih.gov/22029296
https://pubmed.ncbi.nlm.nih.gov/22029296
Publikováno v:
The Journal of chemical physics. 134(17)
A new method, here called thermal Gaussian molecular dynamics (TGMD), for simulating the dynamics of quantum many-body systems has recently been introduced [I. Georgescu and V. A. Mandelshtam, Phys. Rev. B 82, 094305 (2010)]. As in the centroid molec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d2ddd2d875456d4c45a40d5bf2aba9a
https://pubmed.ncbi.nlm.nih.gov/21548675
https://pubmed.ncbi.nlm.nih.gov/21548675
Publikováno v:
Physical Review B. 82
A quantum dynamics approach, called Gaussian molecular dynamics, is introduced. As in the centroid molecular dynamics, the $N$-body quantum system is mapped to an $N$-body classical system with an effective Hamiltonian arising within the variational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45fc9c2e542881ab183813a4bf8cfb44
https://doi.org/10.1103/physrevb.82.094305
https://doi.org/10.1103/physrevb.82.094305
Publikováno v:
Progress in Ultrafast Intense Laser Science III ISBN: 9783540737933
We discuss the ionization and explosion dynamics of rare-gas clusters under intense femtosecond laser pulses. On one hand, we show how a microscopic treatment by means of a mixed quantum/classical approach provides detailed and time-resolved insight
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06358aa514cb9a2b4e8bd89d0871a885
https://doi.org/10.1007/978-3-540-73794-0_8
https://doi.org/10.1007/978-3-540-73794-0_8
Publikováno v:
Physical Review A. 76
The quantum-classical hybrid-description of rare-gas clusters interacting with intense light pulses which we have developed is described in detail. Much emphasis is put on the treatment of screening electrons in the cluster which set the time scale f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cbe7438e4e4d6642acfedbf4002aa02
https://doi.org/10.1103/physreva.76.043203
https://doi.org/10.1103/physreva.76.043203
Publikováno v:
The Journal of Chemical Physics. 138:044317
The self-consistent phonons (SCP) method provides a consistent way to include anharmonic effects when treating a many-body quantum system at thermal equilibrium. The system is then described by an effective temperature-dependent harmonic Hamiltonian,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7c96c1726e7da2a39f6ee2035f10a1b
https://doi.org/10.1063/1.4788977
https://doi.org/10.1063/1.4788977