On the Husimi Version of the Classical Limit of Quantum Correlation Functions

Choudhury, Sreeja Loho; Großmann, Frank

doi:10.3390/condmat5010003

Cited by 5 publications

(3 citation statements)

References 29 publications

(43 reference statements)

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“…While MQC-IVR offers an accurate framework when B is a linear operator, for non-linear operators, the classical-limit can be incorrect even at time zero. 166 In a manuscript currently under preparation we address this limitation and offer some strategies to correct for the difference between the classicallimit MQC-IVR and the Husimi-IVR correlation function. In addition, we note that while there is significant improvement over DHK-IVR, the presence of a full dimensional SC prefactor remains a computational challenge to be overcome.…”

Section: Discussionmentioning

confidence: 99%

A Semiclassical Framework for Mixed Quantum Classical Dynamics

Malpathak¹,

Church²,

Ananth³

2022

Preprint

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Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are limited in their ability to describe quantum effects. In practical studies of high-dimensional reactions, neither extreme is the best choice: frequently a high-level quantum mechanical description is only required for a handful of modes, while the majority of environment modes that do not play a key role in the reactive event of interest are well served with a lower level of theory. In this feature we introduce Modified Filinov filtration as a powerful tool for mixed quantum-classical simulations in a uniform semiclassical framework.

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Section: Discussionmentioning

confidence: 99%

A Semiclassical Framework for Mixed Quantum Classical Dynamics

Malpathak¹,

Church²,

Ananth³

2022

Preprint

View full text Add to dashboard Cite

show abstract

“…While MQC-IVR offers an accurate framework when B ̂is a linear operator, for nonlinear operators, the classical-limit can be incorrect even at time zero. 166 In a manuscript currently under preparation we address this limitation and offer some strategies to correct for the difference between the classicallimit MQC-IVR and the Husimi-IVR correlation function. In MQC-IVR, the presence of a full dimensional SC prefactor remains a computational challenge to be overcome.…”

Section: ■ Conclusionmentioning

confidence: 99%

A Semiclassical Framework for Mixed Quantum Classical Dynamics

2022

View full text Add to dashboard Cite

Semiclassical (SC) approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are limited in their ability to describe quantum effects. In practical studies of high-dimensional reactions, neither extreme is the best choice: frequently a high-level quantum mechanical description is only required for a handful of modes, while the majority of environment modes that do not play a key role in the reactive event of interest are well served with a lower level of theory. In this feature, we introduce modified Filinov filtration as a powerful tool to construct mixed quantum-classical SC theories where different subsystems can be quantized to different extents without introducing ad hoc intersubsystem interaction terms. We demonstrate that these Filinov-based SC methods can systematically tune between quantum and classical limit SC behavior, offering a practical way forward to accurate and computationally efficient simulations of high-dimensional quantum processes.

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“…Quantum dissipation is the common topic of the papers by Giachetti et al [26] and by de Bettin et al [27]. Loho Choudhury and Großmann [28] are using Husimi functions for a semiclassical analysis of correlation functions. Next to all these contributions, I am sure Shmuel would have loved to discuss about exotic physics such as reported in the contribution on a quantum model for cold dark matter [29].…”

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confidence: 99%