Structure of excited states of unstable nuclei studied with antisymmetrized molecular dynamics

1998 ◽  
Vol 24 (8) ◽  
pp. 1499-1503 ◽  
Author(s):  
Y Kanada-En'yo ◽  
H Horiuchi ◽  
A Doté
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Unstable Nuclei

CLUSTER STRUCTURE OF UNSTABLE NUCLEI STUDIED WITH AMD

2008 ◽  
Vol 17 (10) ◽  
pp. 2336-2344 ◽  
Author(s):  
YOSHIKO KANADA-EN'YO ◽  
MASAAKI KIMURA ◽  
YASUTAKA TANIGUCHI ◽  
TADAHIRO SUHARA
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Theoretical Calculations ◽  
Linear Chain ◽  
Cluster Structure ◽  
Chain Structure ◽  
Unstable Nuclei ◽  
Linear Chain Structure

We report three-center cluster structures in the excited states of 11 B (11 C ), 8 He and 14 C based on theoretical calculations with the antisymmetrized molecular dynamics (AMD). In particular we discuss the cluster gas-like states 2α + t(2α+3 He ) in 11 B (11 C ) and α + 2n + 2n in 8 He . In 14 C , the 3α linear-chain structure is discussed.

CLUSTER ASPECT IN UNSTABLE NUCLEI IN P-SHELL AND SD-SHELL REGIONS

2006 ◽  
Vol 15 (07) ◽  
pp. 1541-1548
Author(s):  
YOSHIKO KANADA-EN'YO ◽  
MASAAKI KIMURA
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Excited States ◽  
Cluster State ◽  
Cluster Structure ◽  
Spin Parity ◽  
Unstable Nuclei ◽  
Variational Calculations

Structures of excited states in 11 C and 11 B were studied based on variational calculations after spin-parity projection in a framework of antisymmetrized molecular dynamics (AMD). The calculations systematically reproduce the experimental data of the transition strengths such as Gamov-Teller and M1 transitions. A well-developed cluster structure of 2α+3 He (t) was found in the [Formula: see text] state of 11 C (11 B ), which can be assigned to the observed [Formula: see text] state at 8 MeV. The calculations reproduce the small [Formula: see text] measured in the recent experiments. It was suggested that the [Formula: see text] state has a dilute cluster state, and its features are similar to those of the [Formula: see text] which is considered to be a gas state of three α clusters. The structures of 13 C were also discussed.

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

scholarly journals Photophysics of a copper phenanthroline elucidated by trajectory and wavepacket-based quantum dynamics: a synergetic approach

2017 ◽  
Vol 19 (30) ◽  
pp. 19590-19600 ◽  
Author(s):  
G. Capano ◽  
T. J. Penfold ◽  
M. Chergui ◽  
I. Tavernelli
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Excited States ◽  
Ground State ◽  
Quantum Dynamics ◽  
Equilibrium Processes ◽  
Valuable Method ◽  
Non Equilibrium

On-the-fly excited state molecular dynamics is a valuable method for studying non-equilibrium processes in excited states and is beginning to emerge as a mature approach much like its ground state counterparts.

Three-center cluster states in 11C and 11B

2006 ◽  
Vol 21 (31n33) ◽  
pp. 2403-2409
Author(s):  
Yoshiko Kanada-En'yo
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Excited States ◽  
Cluster State ◽  
Cluster Structure ◽  
Cluster States ◽  
Spin Parity ◽  
Variational Calculations

Structures of excited states in 11 C and 11 B were studied based on variational calculations after spin-parity projection in a framework of antisymmetrized molecular dynamics (AMD). The calculations systematically reproduce experimental data of the transition strengths such as Gamov-Teller(GT) and M1 transitions. A well-developed cluster structure of 2α+3 He (t) was found in the [Formula: see text] state of 11 C (11 B ). We assigned this state to the observed [Formula: see text] state at 8 MeV. The calculations reproduce the small [Formula: see text] which has been measured in the recent experiments. It was found that the [Formula: see text] state has a dilute cluster state, and its features are similar to those of the [Formula: see text] which is considered to be a gas state of three α clusters.

scholarly journals Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states

2016 ◽  
Vol 481 ◽  
pp. 84-90 ◽  
Author(s):  
Tammie Nelson ◽  
Artem Naumov ◽  
Sebastian Fernandez-Alberti ◽  
Sergei Tretiak
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Excited States

Electron correlation and molecular dynamics for excited states and photochemistry

2008 ◽  
Vol 349 (1-3) ◽  
pp. vii-viii ◽  
Author(s):  
Mario Barbatti ◽  
Horst Köppel ◽  
Ron Shepard ◽  
Péter G. Szalay
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electron Correlation
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