Jump to ContentJump to Main Navigation

You are looking at 1-5 of 5 items

  • Keywords: variational theorem x
Clear All Modify Search

View:

Continuity equation and wavefunction properties

Efstratios Manousakis

in Practical Quantum Mechanics: Modern Tools and Applications

Published in print:
2015
Published Online:
December 2015
ISBN:
9780198749349
eISBN:
9780191813474
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198749349.003.0007
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter discusses the continuity equation and continuity properties of the wavefunction and its spatial derivatives. In addition, it discusses other theorems which are useful for calculations, ... More


Rate constants, reactive flux

Niels E. Henriksen and Flemming Y. Hansen

in Theories of Molecular Reaction Dynamics: The Microscopic Foundation of Chemical Kinetics

Published in print:
2008
Published Online:
January 2010
ISBN:
9780199203864
eISBN:
9780191708251
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199203864.003.0005
Subject:
Physics, Condensed Matter Physics / Materials

This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the ... More


Rate Constants, Reactive Flux

Niels Engholm Henriksen and Flemming Yssing Hansen

in Theories of Molecular Reaction Dynamics: The Microscopic Foundation of Chemical Kinetics

Published in print:
2018
Published Online:
November 2018
ISBN:
9780198805014
eISBN:
9780191843129
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198805014.003.0005
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the ... More


Atomic Orbitals

Wai-Kee Li, Hung Kay Lee, Dennis Kee Pui Ng, Yu-San Cheung, Kendrew Kin Wah Mak, and Thomas Chung Wai Mak

in Problems in Structural Inorganic Chemistry

Published in print:
2018
Published Online:
January 2019
ISBN:
9780198823902
eISBN:
9780191862724
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198823902.003.0003
Subject:
Physics, Crystallography, Condensed Matter Physics / Materials

This chapter presents 23 problems covering the subject of atomic orbitals, along with the corresponding solutions.


Introductory Quantum Chemistry

Wai-Kee Li, Hung Kay Lee, Dennis Kee Pui Ng, Yu-San Cheung, Kendrew Kin Wah Mak, and Thomas Chung Wai Mak

in Problems in Structural Inorganic Chemistry

Published in print:
2018
Published Online:
January 2019
ISBN:
9780198823902
eISBN:
9780191862724
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198823902.003.0002
Subject:
Physics, Crystallography, Condensed Matter Physics / Materials

This chapter presents 33 problems covering the subject of introductory quantum chemistry, along with the corresponding solutions.


View: