STUDIES OF THE VIBRATIONAL ENERGY LEVEL OF H2O BY ALGEBRAIC AND DFT APPROACHES

被引：0

作者：

Karumuri, S. R. ^{[1
]}

Rao, V. U. M. ^{[2
]}

Sekhar, J. Vijaya ^{[3
]}

Surendrababu, M. S. ^{[4
]}

Patrudu, T. B. ^{[4
]}

Vamsikrishna, N. ^{[4
]}

Babu, K. S. ^{[5
]}

Kumar, V. S. S. ^{[6
]}

Srinivas, G. ^{[7
]}

机构：

[1] Lakireddy Bali Reddy Coll Engn Mylavaram, Dept Elect & Instrumentat, Mylavaram, Andhra Pradesh, India

[2] Andhra Univ, Coll Sci & Technol, Dept Appl Math, Visakhapatnam, Andhra Pradesh, India

[3] Jawaharlal Nehru Technol Univ, Dept Math, Kakinada, Andhra Pradesh, India

[4] GITAM Univ, Dept Math & Chem, Hyderabad, Andhra Pradesh, India

[5] Miracle Engn Coll, Dept Phys, Bhogapuram, Andhra Pradesh, India

[6] Rajeev Gandhi Mem Engn Coll, Dept Elect & Instrumentat, Nandyal, Andhra Pradesh, India

[7] KL Univ, Dept Phys, Guntur, Andhra Pradesh, India

来源：

UKRAINIAN JOURNAL OF PHYSICS | 2013年 / 58卷 / 09期

关键词：

Lie-algebraic method; vibrational spectra; density functional theory (DFT); H2O;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The molecular spectroscopy is a branch of physics that deals with the interaction of electromagnetic radiation with matter. Within new theoretical approaches, we have calculated the stretching and bending vibrational energy levels of a water molecule in fundamental and overtone modes. The present calculation not only predicts the higher overtones, but also shows good agreement with a few experimental data.

引用

页码：836 / 840

页数：5

共 50 条

[1] Vibrational Spectroscopy of H2O by Lie Algebraic Methods
Karumuri, S. R.
Srinivas, G.
Babu, K. Sunil
Kumar, V. Sundara Siva
Hanumaiah, A.
ACTA PHYSICA POLONICA A, 2013, 124 (01) : 3 - 5
[2] Vibrational spectroscopy of H2O by lie algebraic methods
Karumuri, S.R. (srinivasakarumuri@gmail.com), 1600, Polska Akademia Nauk (124):
[3] Vibrational energy relaxation in H2O
Lock, AJ
Bakker, HJ
ULTRAFAST PHENOMENA XIII, 2003, 71 : 529 - 531
[4] Vibrational Spectra of H2O Isotopes Using Algebraic Model
Ziadi, Kamal
AFRICAN REVIEW OF PHYSICS, 2013, 8 : 381 - 385
[5] A DFT study of enhancement of H2O activation in vibrational excitation
Qian, Chaoyi
Wang, Yanbiao
Wang, Zhiping
INORGANICA CHIMICA ACTA, 2021, 514
[6] Vibrational studies on disaccharide/H2O systems
Branca, C.
Magazu', S.
Maisano, G.
Mangione, A.
Bennington, S. M.
Taylor, J.
PHYSICA B-CONDENSED MATTER, 2004, 350 (1-3) : E371 - E373
[7] Vibrational energy transfer and relaxation in O2 and H2O
Huestis, David L.
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (21): : 6638 - 6642
[8] Algebraic description of stretching and bending vibrational spectra of H2O and H2S
Zheng, YJ
Ding, SL
JOURNAL OF MOLECULAR SPECTROSCOPY, 2000, 201 (01) : 109 - 115
[9] Geometrical and vibrational DFT studies of HOBr•(H2O)n clusters (n=1-4)
Santos, CMP
Faria, RB
De Almeida, WB
Machuca-Herrera, JO
Machado, SP
CANADIAN JOURNAL OF CHEMISTRY, 2003, 81 (09) : 961 - 970
[10] The H-function for the intra-molecular vibrational energy redistribution as an algebraic approach:: resonances in H2O and DCN
Zheng, DS
Wang, PJ
Wu, GZ
CHEMICAL PHYSICS LETTERS, 2002, 352 (1-2) : 79 - 84

← 1 2 3 4 5 →