語系:
繁體中文
English
說明(常見問題)
圖資館首頁
登入
回首頁
切換:
標籤
|
MARC模式
|
ISBD
Applications of quantum dynamics in ...
~
Gatti, Fabien.
Applications of quantum dynamics in chemistry
紀錄類型:
書目-電子資源 : Monograph/item
正題名/作者:
Applications of quantum dynamics in chemistryby Fabien Gatti ... [et al.].
其他作者:
Gatti, Fabien.
出版者:
Cham :Springer International Publishing :2017.
面頁冊數:
xiv, 429 p. :ill., digital ;24 cm.
Contained By:
Springer eBooks
標題:
Quantum chemistry.
電子資源:
http://dx.doi.org/10.1007/978-3-319-53923-2
ISBN:
9783319539232$q(electronic bk.)
Applications of quantum dynamics in chemistry
Applications of quantum dynamics in chemistry
[electronic resource] /by Fabien Gatti ... [et al.]. - Cham :Springer International Publishing :2017. - xiv, 429 p. :ill., digital ;24 cm. - Lecture notes in chemistry,v.980342-4901 ;. - Lecture notes in chemistry ;v.78..
Part I Introduction -- Part II Concepts and Methods: Quantum effects -- Electronic states and potential energy operators -- The Choice of coordinates -- Kinetic energy operators -- Introduction to molecular symmetry -- Introduction to numerical methods and to MCTDH -- Part III Applications: Infrared spectroscopy -- Quantum control with laser pulses in the electronic ground state -- Photodissociation spectra -- Cross sections for reactive scattering -- Quantum control with laser pulses for electronically excited states -- Non-adiabatic photochemistry -- Optimal control and quantum computers -- Part IV Conclusion.
This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization. Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments illustrate the power of the method. The book restricts complicated formalism to the necessary and in a self-contained and clearly explained way, offering the reader an introduction to, and instructions for, practical exercises. Continuative explanation and math are optionally supplemented for the interested reader. The reader learns how to apply example simulations with the MCTDH program package (Multi Configuration Time Dependent Hartree calculations) Readers can thus obtain the tools to run their own simulations and apply them to their problems. Selected scripts and program code from the examples are made available as supplementary material. This book bridges the gap between the existing textbooks on fundamental theoretical chemistry and research monographs focusing on sophisticated applications. It is a must-read for everyone who wants to gain a sound understanding of Molecular Quantum Dynamics simulations and to obtain basic experience in running their own simulations.
ISBN: 9783319539232$q(electronic bk.)
Standard No.: 10.1007/978-3-319-53923-2doiSubjects--Topical Terms:
194339
Quantum chemistry.
LC Class. No.: QD462
Dewey Class. No.: 541.28
Applications of quantum dynamics in chemistry
LDR
:03806nmm a2200325 a 4500
001
522079
003
DE-He213
005
20170906131657.0
006
m d
007
cr nn 008maaau
008
180521s2017 gw s 0 eng d
020
$a
9783319539232$q(electronic bk.)
020
$a
9783319539218$q(paper)
024
7
$a
10.1007/978-3-319-53923-2
$2
doi
035
$a
978-3-319-53923-2
040
$a
GP
$c
GP
041
0
$a
eng
050
4
$a
QD462
072
7
$a
PNRP
$2
bicssc
072
7
$a
SCI013050
$2
bisacsh
082
0 4
$a
541.28
$2
23
090
$a
QD462
$b
.A652 2017
245
0 0
$a
Applications of quantum dynamics in chemistry
$h
[electronic resource] /
$c
by Fabien Gatti ... [et al.].
260
$a
Cham :
$b
Springer International Publishing :
$b
Imprint: Springer,
$c
2017.
300
$a
xiv, 429 p. :
$b
ill., digital ;
$c
24 cm.
490
1
$a
Lecture notes in chemistry,
$x
0342-4901 ;
$v
v.98
505
0
$a
Part I Introduction -- Part II Concepts and Methods: Quantum effects -- Electronic states and potential energy operators -- The Choice of coordinates -- Kinetic energy operators -- Introduction to molecular symmetry -- Introduction to numerical methods and to MCTDH -- Part III Applications: Infrared spectroscopy -- Quantum control with laser pulses in the electronic ground state -- Photodissociation spectra -- Cross sections for reactive scattering -- Quantum control with laser pulses for electronically excited states -- Non-adiabatic photochemistry -- Optimal control and quantum computers -- Part IV Conclusion.
520
$a
This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization. Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments illustrate the power of the method. The book restricts complicated formalism to the necessary and in a self-contained and clearly explained way, offering the reader an introduction to, and instructions for, practical exercises. Continuative explanation and math are optionally supplemented for the interested reader. The reader learns how to apply example simulations with the MCTDH program package (Multi Configuration Time Dependent Hartree calculations) Readers can thus obtain the tools to run their own simulations and apply them to their problems. Selected scripts and program code from the examples are made available as supplementary material. This book bridges the gap between the existing textbooks on fundamental theoretical chemistry and research monographs focusing on sophisticated applications. It is a must-read for everyone who wants to gain a sound understanding of Molecular Quantum Dynamics simulations and to obtain basic experience in running their own simulations.
650
0
$a
Quantum chemistry.
$3
194339
650
1 4
$a
Chemistry.
$3
188628
650
2 4
$a
Theoretical and Computational Chemistry.
$3
273882
650
2 4
$a
Quantum Physics.
$3
275010
650
2 4
$a
Computer Applications in Chemistry.
$3
273872
650
2 4
$a
Math. Applications in Chemistry.
$3
274138
700
1
$a
Gatti, Fabien.
$3
680221
710
2
$a
SpringerLink (Online service)
$3
273601
773
0
$t
Springer eBooks
830
0
$a
Lecture notes in chemistry ;
$v
v.78.
$3
557976
856
4 0
$u
http://dx.doi.org/10.1007/978-3-319-53923-2
950
$a
Chemistry and Materials Science (Springer-11644)
筆 0 讀者評論
全部
電子館藏
館藏
1 筆 • 頁數 1 •
1
條碼號
館藏地
館藏流通類別
資料類型
索書號
使用類型
借閱狀態
預約狀態
備註欄
附件
000000147051
電子館藏
1圖書
電子書
EB QD462 A652 2017
一般使用(Normal)
在架
0
1 筆 • 頁數 1 •
1
多媒體
多媒體檔案
http://dx.doi.org/10.1007/978-3-319-53923-2
評論
新增評論
分享你的心得
Export
取書館別
處理中
...
變更密碼
登入