Parametrization of complex absorbing potentials for time-dependent quantum dynamics using multi-step potentials

Literature Information

Publication Date 2001-06-28
DOI 10.1039/B101900G
Impact Factor 3.676
Authors

Á. Vibók, G. J. Halász


View Original

Abstract

In this work, the reflection and transmission of plane waves are examined from a ‘true’ complex potential. In our previous paper a simple and exact numerical procedure was proposed for treating the absorbing potential problem. The comparison of this multi-step potential method with the time-dependent wavepacket approach gave very good agreement, so our present aim is to examine an appropriate polynomial form of negative complex potentials (NCPs) using the step potential method. Calculations have been presented that optimize the coefficients and exponents of the power functions so as to get a minimal value for the sum of the reflection and transmission coefficients as a function of the kinetic energy and the absorbing length.

Related Literature

A curious case of poisoning by mouldy bread

Paper

DOI: 10.1039/AN8780300355

Simultaneous analysis of phosphopeptides and intact glycopeptides from secretome with mode switchable solid phase extraction

Rui Chen, Sam Williamson, Kelly M. Fulton, Susan M. Twine, Jianjun Li

2019-10-01 Paper

DOI: 10.1039/C9AY01756A

Functionalized viral nanoparticles as ultrasensitive reporters in lateral-flow assays

Meena Adhikari, Sagar Dhamane, Anna E. V. Hagström, Gavin Garvey, Wen-Hsiang Chen, Katerina Kourentzi, Ulrich Strych

2013-07-25 Communication

DOI: 10.1039/C3AN00891F

Back cover

Cover

DOI: 10.1039/C3AN90087H

Highly selective and sensitive detection of Cu2+ with lysine enhancing bovine serum albumin modified-carbon dots fluorescent probe

Jia-Ming Liu, Li-ping Lin, Xin-Xing Wang, Shao-Qin Lin, Wen-Lian Cai, Li-Hong Zhang, Zhi-Yong Zheng

2012-04-05 Paper

DOI: 10.1039/C2AN35130G

NMR-based metabolomics and fluxomics: developments and future prospects

2020-03-02 Critical Review

DOI: 10.1039/D0AN00142B

Cadmium binding in mixtures of phytochelatins and their fragments: A voltammetric study assisted by multivariate curve resolution and mass spectrometry

Rui Gusmão, Cristina Ariño, José Manuel Díaz-Cruz, Miquel Esteban

2009-11-13 Paper

DOI: 10.1039/B918293D

Back cover

Front/Back Matter

DOI: 10.1039/C2AN90005J

Analysts' reports

Other

DOI: 10.1039/AN8780300366

You might also like

Compound Q&A

How is Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) typically synthesized?

Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) can be synth...

59713-58-5Ethyl 4-chlorothieno...
Compound Q&A

What regulatory guidelines apply to 5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2)?

5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2) is subject to various regula...

52562-50-25-Methyl-1H-indole-3...
Compound Q&A

What are the physical and chemical properties of (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid (CAS: 223418-73-3)?

(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid is a white...

223418-73-3(1,3-Dimethyl-2,4-di...
Compound Q&A

How should waste containing Sulfocostunolide A (CAS: 1016983-51-9) be handled?

Waste containing Sulfocostunolide A (CAS: 1016983-51-9) should be handled with c...

1016983-51-9Sulfocostunolide A
Compound Q&A

What precautions should be taken when handling Murraxocin (CAS: 88478-44-8)?

When handling Murraxocin (CAS: 88478-44-8), ensure proper personal protective eq...

88478-44-8Murraxocin
Compound Q&A

What are the physical and chemical properties of Formvar (CAS: 63148-64-1)?

Formvar (CAS: 63148-64-1) is an alkyd resin characterized by a high molecular we...

63148-64-1Formvar(R)
Compound Q&A

Is (S)-4-benzyl-2-((benzyloxy)methyl)morpholine (CAS: 205242-66-6) safe?

(S)-4-benzyl-2-((benzyloxy)methyl)morpholine is generally safe when handled with...

205242-66-6(S)-4-benzyl-2-((ben...
Compound Q&A

What industries use Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3)?

Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3) is p...

1447607-69-3Methyl 1-(5-bromo-2-...
Compound Q&A

Is 2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) safe?

2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) is generally con...

24290-47-92-Methyl-1-phenyl-1-...
Compound Q&A

How is 3-(4-Bromophenyl)-2-methylpropanoic acid (CAS: 66735-01-1) typically synthesized?

3-(4-Bromophenyl)-2-methylpropanoic acid is synthesized through a multi-step pro...

66735-01-13-(4-Bromophenyl)-2-...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.