東華大學圖書館 |

語系: 繁體中文

說明(常見問題)

回圖書館首頁

手機版館藏查詢

登入

回首頁

切換: 標籤 | MARC模式 | ISBD

Semiclassical nonadiabatic molecular...

Zhu, Chaoyuan.

FindBook

Google Book

Amazon

博客來

Semiclassical nonadiabatic molecular dynamics = theory and simulation with and without classical trajectories /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Semiclassical nonadiabatic molecular dynamics/ by Chaoyuan Zhu.
其他題名:	theory and simulation with and without classical trajectories /
作者:	Zhu, Chaoyuan.
出版者:	Singapore :Springer Nature Singapore : : 2024.,
面頁冊數:	xi, 274 p. :ill. (chiefly col.), digital ;24 cm.
內容註:	Introduction -- Exact Semiclassical Mechanics -- Approximation Semiclassical Mechanics.
Contained By:	Springer Nature eBook
標題:	Molecular dynamics. -
電子資源:	https://doi.org/10.1007/978-981-97-4296-7
ISBN:	9789819742967

Semiclassical nonadiabatic molecular dynamics = theory and simulation with and without classical trajectories /
Zhu, Chaoyuan.

Semiclassical nonadiabatic molecular dynamicstheory and simulation with and without classical trajectories /[electronic resource] :by Chaoyuan Zhu. - Singapore :Springer Nature Singapore :2024. - xi, 274 p. :ill. (chiefly col.), digital ;24 cm. - Challenges and advances in computational chemistry and physics,v. 382542-4483 ;. - Challenges and advances in computational chemistry and physics ;v. 38..

Introduction -- Exact Semiclassical Mechanics -- Approximation Semiclassical Mechanics.

This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectroscopy simulation with and without classical trajectories. It consists of eight chapters demonstrating interesting conical and intersystem-driven photochemical processes in complex systems targeting on large-scale ab initio direct nonadiabatic molecular dynamics. It also includes two chapters dealing with time-independent and time-dependent nonadiabatic molecular dynamics and clarifies the underline principle of Born-Oppenheimer approximation associated with coherence/decoherence quantum effects that have a wide range of applications in photochemistry and photophysics. This book is interesting and useful to a wide readership in the various fields of basic quantum chemistry and physics associated with large-scale excited-state simulation of nonadiabatic molecular dynamics and spectroscopy.

ISBN: 9789819742967

Standard No.: 10.1007/978-981-97-4296-7doiSubjects--Topical Terms:

547134
Molecular dynamics.

LC Class. No.: QD461

Dewey Class. No.: 541.394

Semiclassical nonadiabatic molecular dynamics = theory and simulation with and without classical trajectories /
LDR:02190nmm a2200337 a 4500 001 2373831
003 DE-He213
005 20240802130234.0
006 m d
007 cr nn 008maaau
008 241231s2024 si s 0 eng d
020 $a 9789819742967 $q (electronic bk.)
020 $a 9789819742950 $q (paper)
024 7 $a 10.1007/978-981-97-4296-7 $2 doi
035 $a 978-981-97-4296-7
040 $a GP $c GP
041 0 $a eng
050 4 $a QD461
072 7 $a PNRP $2 bicssc
072 7 $a SCI013050 $2 bisacsh
072 7 $a PNRP $2 thema
082 0 4 $a 541.394 $2 23
090 $a QD461 $b .Z63 2024
100 1 $a Zhu, Chaoyuan. $3 3722238
245 1 0 $a Semiclassical nonadiabatic molecular dynamics $h [electronic resource] : $b theory and simulation with and without classical trajectories / $c by Chaoyuan Zhu.
260 $a Singapore : $b Springer Nature Singapore : $b Imprint: Springer, $c 2024.
300 $a xi, 274 p. : $b ill. (chiefly col.), digital ; $c 24 cm.
490 1 $a Challenges and advances in computational chemistry and physics, $x 2542-4483 ; $v v. 38
505 0 $a Introduction -- Exact Semiclassical Mechanics -- Approximation Semiclassical Mechanics.
520 $a This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectroscopy simulation with and without classical trajectories. It consists of eight chapters demonstrating interesting conical and intersystem-driven photochemical processes in complex systems targeting on large-scale ab initio direct nonadiabatic molecular dynamics. It also includes two chapters dealing with time-independent and time-dependent nonadiabatic molecular dynamics and clarifies the underline principle of Born-Oppenheimer approximation associated with coherence/decoherence quantum effects that have a wide range of applications in photochemistry and photophysics. This book is interesting and useful to a wide readership in the various fields of basic quantum chemistry and physics associated with large-scale excited-state simulation of nonadiabatic molecular dynamics and spectroscopy.
650 0 $a Molecular dynamics. $3 547134
650 1 4 $a Theoretical Chemistry. $3 3591855
650 2 4 $a Mathematical Applications in Chemistry. $3 3596663
650 2 4 $a Physics and Astronomy. $3 3538869
650 2 4 $a Mathematical Physics. $3 1542352
650 2 4 $a Spectroscopy. $3 699574
710 2 $a SpringerLink (Online service) $3 836513
773 0 $t Springer Nature eBook
830 0 $a Challenges and advances in computational chemistry and physics ; $v v. 38. $3 3722239
856 4 0 $u https://doi.org/10.1007/978-981-97-4296-7
950 $a Chemistry and Materials Science (SpringerNature-11644)