Semiclassical nonadiabatic molecular dynamics : theory and simulation with and without classical trajectories / Chaoyuan Zhu.
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-drive...
Saved in:
| Online Access: |
Full Text (via Springer) |
|---|---|
| Main Author: | |
| Format: | eBook |
| Language: | English |
| Published: |
Singapore :
Springer,
[2024]
|
| Series: | Challenges and advances in computational chemistry and physics ;
38. |
| Subjects: |
MARC
| LEADER | 00000cam a2200000 i 4500 | ||
|---|---|---|---|
| 001 | in00000297036 | ||
| 006 | m o d | ||
| 007 | cr ||||||||||| | ||
| 008 | 240804s2024 si a ob 000 0 eng d | ||
| 005 | 20241007173937.1 | ||
| 020 | |a 9789819742967 |q (electronic bk.) | ||
| 020 | |a 981974296X |q (electronic bk.) | ||
| 020 | |z 9789819742950 | ||
| 024 | 7 | |a 10.1007/978-981-97-4296-7 |2 doi | |
| 035 | |a (OCoLC)spr1450879790 | ||
| 035 | |a (OCoLC)1450879790 | ||
| 037 | |a spr978-981-97-4296-7 | ||
| 040 | |a OCLKB |b eng |e pn |e rda |c OCLKB |d GW5XE |d OCLCO |d EBLCP | ||
| 049 | |a GWRE | ||
| 050 | 4 | |a QD461 | |
| 100 | 1 | |a Zhu, Chaoyuan, |e author. | |
| 245 | 1 | 0 | |a Semiclassical nonadiabatic molecular dynamics : |b theory and simulation with and without classical trajectories / |c Chaoyuan Zhu. |
| 264 | 1 | |a Singapore : |b Springer, |c [2024] | |
| 264 | 4 | |c ©2024 | |
| 300 | |a 1 online resource (xi, 274 pages) : |b illustrations (chiefly color). | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a volume |b nc |2 rdacarrier | ||
| 490 | 1 | |a Challenges and advances in computational chemistry and physics ; |v volume 38 | |
| 504 | |a Includes bibliographical references. | ||
| 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 BornOppenheimer 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. | ||
| 505 | 0 | |a Introduction -- Exact Semiclassical Mechanics -- Approximation Semiclassical Mechanics. | |
| 588 | 0 | |a Online resource; title from PDF title page (SpringerLink, viewed August 6, 2024). | |
| 650 | 0 | |a Molecular dynamics. |0 http://id.loc.gov/authorities/subjects/sh85086583 | |
| 856 | 4 | 0 | |u https://colorado.idm.oclc.org/login?url=https://link.springer.com/10.1007/978-981-97-4296-7 |z Full Text (via Springer) |
| 830 | 0 | |a Challenges and advances in computational chemistry and physics ; |v 38. |0 http://id.loc.gov/authorities/names/no2007022998 | |
| 915 | |a - | ||
| 944 | |a MARS | ||
| 956 | |a Springer e-books | ||
| 956 | |b Springer Nature - Springer Chemistry and Materials Science eBooks 2024 English International | ||
| 994 | |a 92 |b COD | ||
| 998 | |b Added to collection springerlink.ebookcms2024 | ||
| 999 | f | f | |s 2c724ed6-60da-4869-96ae-4a47a002d5ff |i ff1edb09-9a13-4bfd-9086-aef5fe6dc6cc |
| 952 | f | f | |p Can circulate |a University of Colorado Boulder |b Online |c Online |d Online |e QD461 |h Library of Congress classification |i web |