Density Functional Theory of Molecules, Clusters, and Solids (Understanding Chemical Reactivity)

Density Functional Theory of Molecules, Clusters, and Solids (Understanding Chemical Reactivity)


Yazar D.E. Ellis
Yayınevi Springer
ISBN 9780792330837
Baskı yılı 1994
Sayfa sayısı 320
Ağırlık 0.65 kg
Stok durumu Var    Stok detayları
Kargoya teslim Aynı gün kargo

Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
Editors Foreword
1 Fermi Holes and Coulomb Holes by M. A. Buijse and E. J. Baerends 1
2 Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications by John P. Perdew 47
3 The Application of Nonlocal and Self-Consistent Density Functional Theory to Molecular Problems by Liangyou Fan and Tom Ziegler 67
4 Density Functional Calculations on Special Clusters by Brett I. Dunlap 97
5 Clusters and Cluster Reactions by P. Jena and S. N. Khanna and B. K. Rao 123
6 LDF Electronic Structure of Fullerene Tubules by J. W. Mintmire 153
7 Electronic Structure of Solid-State Systems Via the Divide-and-Conquer Method by Weitao Yang and Zhongxiang Zhou 177
8 Local Density Calculation of the Optical Properties of Insulators by W. Y. Ching 189
9 Defect Structure of Solids by V. A. Gubanov and A. L. Ivanovsky 223
10 Embedded Clusters: A Viable Approach for Surfaces and Impurities by D. E. Ellis and J. Guo 263
Index 311

Axess
Axess

Taksit Taksit Tutarı Toplam Tutar
Tek çekim - 8042.49 TL
2 ay 4161.99 TL 8323.98 TL
3 ay 2828.28 TL 8484.83 TL
6 ay 1507.97 TL 9047.80 TL
9 ay 1072.33 TL 9650.99 TL
12 ay 867.92 TL 10415.02 TL

cardFinans
cardFinans

Taksit Taksit Tutarı Toplam Tutar
Tek çekim - 8042.49 TL
2 ay 4161.99 TL 8323.98 TL
3 ay 2828.28 TL 8484.83 TL
6 ay 1507.97 TL 9047.80 TL
9 ay 1072.33 TL 9650.99 TL
12 ay 867.92 TL 10415.02 TL

Bonus
Bonus

Taksit Taksit Tutarı Toplam Tutar
Tek çekim - 8042.49 TL
2 ay 4161.99 TL 8323.98 TL
3 ay 2828.28 TL 8484.83 TL
6 ay 1507.97 TL 9047.80 TL
9 ay 1072.33 TL 9650.99 TL
12 ay 867.92 TL 10415.02 TL

World
World

Taksit Taksit Tutarı Toplam Tutar
Tek çekim - 8042.49 TL
2 ay 4161.99 TL 8323.98 TL
3 ay 2828.28 TL 8484.83 TL
6 ay 1507.97 TL 9047.80 TL
9 ay 1072.33 TL 9650.99 TL
12 ay 867.92 TL 10415.02 TL

Maximum
Maximum

Taksit Taksit Tutarı Toplam Tutar
Tek çekim - 8042.49 TL
2 ay 4161.99 TL 8323.98 TL
3 ay 2828.28 TL 8484.83 TL
6 ay 1507.97 TL 9047.80 TL
9 ay 1072.33 TL 9650.99 TL
12 ay 867.92 TL 10415.02 TL

Paraf
Paraf

Taksit Taksit Tutarı Toplam Tutar
Tek çekim - 8042.49 TL
2 ay 4161.99 TL 8323.98 TL
3 ay 2828.28 TL 8484.83 TL
6 ay 1507.97 TL 9047.80 TL
9 ay 1072.33 TL 9650.99 TL
12 ay 867.92 TL 10415.02 TL

Kredi Kartı (Tek Çekim)
Kredi Kartı (Tek Çekim)

Taksit Taksit Tutar ı Toplam Tutar
Peşin - 8042.49 TL

Bonus, Maximum, Paraf, Cardfinans, Axess ve World özelliği olan tüm kartlar ile ödeme yapılabilir.