Influence of rotational excitation on unimolecular dissociation rates: a theoretical approach
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| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Göttingen
Max-Planck-Inst. für Strömungsforschung
2000
|
| Series: | Berichte / Max-Planck-Institut für Strömungsforschung
2000,8 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Zugl.: Göttingen, Univ., Diss., 2000 |
| Physical Description: | IV, 141 S. graph. Darst. |
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| 100 | 1 | |a Weiß, Jan |d 1970- |e Verfasser |0 (DE-588)12366053X |4 aut | |
| 245 | 1 | 0 | |a Influence of rotational excitation on unimolecular dissociation rates |b a theoretical approach |c Jan Weiß |
| 264 | 1 | |a Göttingen |b Max-Planck-Inst. für Strömungsforschung |c 2000 | |
| 300 | |a IV, 141 S. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a Berichte / Max-Planck-Institut für Strömungsforschung |v 2000,8 | |
| 500 | |a Zugl.: Göttingen, Univ., Diss., 2000 | ||
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Record in the Search Index
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| adam_text |
CONTENTS
1
INTRODUCTION
1
2
HAMILTONIAN
FOR
A
ROTATING
TRIATOMIC
MOLECULE
7
2.1
THE
BORN-OPPENHEIMER
APPROXIMATION
.
7
2.2
JACOBI
COORDINATES
.
9
2.3
BODY-FIXED
COORDINATE
SYSTEM
.
12
2.4
MATRIX
ELEMENTS
.
15
2.5
PARITY
ADAPTED
BASIS
.
17
2.6
CENTRIFUGAL
SUDDEN
APPROXIMATION
.
18
2.7
DVR
BASIS
FOR
THE
RADIAL
COORDINATES
.
19
2.8
DVR
BASIS
FOR
THE
ANGULAR
COORDINATE
.
22
2.9
SUMMARY
OF
DVR
MATRIX
ELEMENTS
.
25
2.10
CHOICE
OF
THE
THREE
DIMENSIONAL
GRID
.
27
3
HAMILTONIAN
FOR
A
RENNER-TELLER
COUPLED
TWO
SURFACE
SYSTEM
29
3.1
RENNER-TELLER
COUPLING
.
29
3.2
DIABATIC
BASIS
.
33
3.3
HAMILTONIAN
MATRIX
ELEMENTS
.
36
3.4
DVR
MATRIX
ELEMENTS
.
39
4
DYNAMICS
CALCULATIONS
41
4.1
GENERAL
BACKGROUND
.
41
4.2
THE
FILTER
DIAGONALIZATION
METHOD
.
42
4.3
THE
PRACTICAL
CHOICE
OF
THE
OPTICAL
POTENTIAL
.
48
4.4
FAILURE
OF
ANALYZING
A-TRAJECTORIES
.
50
4.5
SCALING
OF
THE
OPTICAL
POTENTIAL
.
51
4.6
EFFICIENT
IMPLEMENTATION
OF
H
T
.
53
4.7
PARALLELIZED
VERSION
OF
FILTER
DIAGONALIZATION
.
55
5
DISSOCIATION
RATES
IN
THE
NEAR-THRESHOLD
FRAGMENTATION
OF
HOC1
57
5.1
OVERVIEW
.
57
5.2
POTENTIAL
ENERGY
SURFACE
.
58
5.3
CHARACTERIZATION
OF
BOUND
STATES
.
60
5.4
BROAD
DISTRIBUTION
OF
DISSOCIATION
RATES
.
64
5.5
J-DEPENDENT
DISSOCIATION
RATES
OF
(4,2,6)
.
71
5.6
J-DEPENDENT
DISSOCIATION
RATES
OF
(6,0,0)
.
76
6
RENNER-TELLER
INDUCED
PHOTODISSOCIATION
OF
HCO
IN
THE
FIRST
AB
SORPTION
BAND
85
6.1
INTRODUCTORY
REMARKS
.
85
6.2
POTENTIAL
ENERGY
SURFACES
.
87
6.3
NUMERICAL
DETAILS
.
90
6.4
RESONANCE
SPECTRUM
FOR
J
=
K
=
1
.
90
6.5
LINEWIDTHS
OF
THE
LONG-LIVED
K
=
0
STATES
.
97
7
RENNER-TELLER
INDUCED
J-DEPENDENT
DECAY
RATES
OF
THE
QUASI
BOUND
A
*4"-STATES
IN
HNO
105
7.1
GENERAL
SURVEY
.
105
7.2
POTENTIAL
ENERGY
SURFACES
.
106
7.3
PARAMETERS
OF
THE
CALCULATIONS
.
109
7.4
VIBRONIC
ENERGIES
AND
ROTATIONAL
CONSTANTS
IN
THE
A
W'
STATE
.
.
.
110
7.5
VARIATION
OF
THE
RESONANCE
WIDTHS
WITH
T
3
.
112
7.6
VARIATION
OF
THE
RESONANCE
WIDTHS
WITH
A
.
113
7.7
VARIATION
OF
THE
RESONANCE
WIDTHS
WITH
J
.
116
N
7.8
COMPARISON
TO
THE
EXPERIMENTAL
DATA
.
121
8
SUMMARY
129
A
DERIVATION
OF
THE
CHEBYCHEV
EXPANSION
OF
THE
GREEN
'
S
FUNCTION
131
BIBLIOGRAPHY
133
III |
| any_adam_object | 1 |
| author | Weiß, Jan 1970- |
| author_GND | (DE-588)12366053X |
| author_facet | Weiß, Jan 1970- |
| author_role | aut |
| author_sort | Weiß, Jan 1970- |
| author_variant | j w jw |
| building | Verbundindex |
| bvnumber | BV013585236 |
| classification_tum | PHY 502d PHY 522d |
| ctrlnum | (OCoLC)48710418 (DE-599)BVBBV013585236 |
| discipline | Physik |
| format | Book |
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| genre | (DE-588)4113937-9 Hochschulschrift gnd-content |
| genre_facet | Hochschulschrift |
| id | DE-604.BV013585236 |
| illustrated | Illustrated |
| indexdate | 2024-08-16T01:09:54Z |
| institution | BVB |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-009278694 |
| oclc_num | 48710418 |
| open_access_boolean | |
| owner | DE-91 DE-BY-TUM DE-355 DE-BY-UBR DE-83 |
| owner_facet | DE-91 DE-BY-TUM DE-355 DE-BY-UBR DE-83 |
| physical | IV, 141 S. graph. Darst. |
| publishDate | 2000 |
| publishDateSearch | 2000 |
| publishDateSort | 2000 |
| publisher | Max-Planck-Inst. für Strömungsforschung |
| record_format | marc |
| series2 | Berichte / Max-Planck-Institut für Strömungsforschung |
| spelling | Weiß, Jan 1970- Verfasser (DE-588)12366053X aut Influence of rotational excitation on unimolecular dissociation rates a theoretical approach Jan Weiß Göttingen Max-Planck-Inst. für Strömungsforschung 2000 IV, 141 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Berichte / Max-Planck-Institut für Strömungsforschung 2000,8 Zugl.: Göttingen, Univ., Diss., 2000 Ab-initio-Rechnung (DE-588)4141062-2 gnd rswk-swf Photodissoziation (DE-588)4131114-0 gnd rswk-swf Dreiatomiges Molekül (DE-588)4320086-2 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Dreiatomiges Molekül (DE-588)4320086-2 s Photodissoziation (DE-588)4131114-0 s Ab-initio-Rechnung (DE-588)4141062-2 s DE-604 Max-Planck-Institut für Strömungsforschung Berichte 2000,8 (DE-604)BV000895025 2000,8 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009278694&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Weiß, Jan 1970- Influence of rotational excitation on unimolecular dissociation rates a theoretical approach Ab-initio-Rechnung (DE-588)4141062-2 gnd Photodissoziation (DE-588)4131114-0 gnd Dreiatomiges Molekül (DE-588)4320086-2 gnd |
| subject_GND | (DE-588)4141062-2 (DE-588)4131114-0 (DE-588)4320086-2 (DE-588)4113937-9 |
| title | Influence of rotational excitation on unimolecular dissociation rates a theoretical approach |
| title_auth | Influence of rotational excitation on unimolecular dissociation rates a theoretical approach |
| title_exact_search | Influence of rotational excitation on unimolecular dissociation rates a theoretical approach |
| title_full | Influence of rotational excitation on unimolecular dissociation rates a theoretical approach Jan Weiß |
| title_fullStr | Influence of rotational excitation on unimolecular dissociation rates a theoretical approach Jan Weiß |
| title_full_unstemmed | Influence of rotational excitation on unimolecular dissociation rates a theoretical approach Jan Weiß |
| title_short | Influence of rotational excitation on unimolecular dissociation rates |
| title_sort | influence of rotational excitation on unimolecular dissociation rates a theoretical approach |
| title_sub | a theoretical approach |
| topic | Ab-initio-Rechnung (DE-588)4141062-2 gnd Photodissoziation (DE-588)4131114-0 gnd Dreiatomiges Molekül (DE-588)4320086-2 gnd |
| topic_facet | Ab-initio-Rechnung Photodissoziation Dreiatomiges Molekül Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009278694&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV000895025 |
| work_keys_str_mv | AT weißjan influenceofrotationalexcitationonunimoleculardissociationratesatheoreticalapproach |