-
1
-
-
0002174057
-
-
N. Boden, R. J. Bushby, J. Clements, M. V. Jesudason, P. F. Knowles, and G. Williams, Chem. Phys. Lett. 152, 94 (1988); 154, 613 (1989).
-
(1988)
Chem. Phys. Lett.
, vol.152
, pp. 94
-
-
Boden, N.1
Bushby, R.J.2
Clements, J.3
Jesudason, M.V.4
Knowles, P.F.5
Williams, G.6
-
2
-
-
85045818701
-
-
N. Boden, R. J. Bushby, J. Clements, M. V. Jesudason, P. F. Knowles, and G. Williams, Chem. Phys. Lett. 152, 94 (1988); 154, 613 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.154
, pp. 613
-
-
-
3
-
-
0000343642
-
-
L. Y. Chiang, J. P. Stokes, C. R. Safinya, and A. N. Bloch, Mol. Cryst. Liq. Cryst. 125, 279 (1985).
-
(1985)
Mol. Cryst. Liq. Cryst.
, vol.125
, pp. 279
-
-
Chiang, L.Y.1
Stokes, J.P.2
Safinya, C.R.3
Bloch, A.N.4
-
4
-
-
0001226847
-
-
J. van Keulen, T. W. Warmerdam, R. J. M. Nolle, and W. Drenth, Recl. Trav. Chim. Pays-Bas. Recl. Trav. Chim. Pays-Bas. 106, 534 (1987).
-
(1987)
Recl. Trav. Chim. Pays-Bas. Recl. Trav. Chim. Pays-Bas.
, vol.106
, pp. 534
-
-
Van Keulen, J.1
Warmerdam, T.W.2
Nolle, R.J.M.3
Drenth, W.4
-
5
-
-
0000262830
-
-
G. B. M. Vaughan, P. A. Heiney, J. P. McCauley, Jr., and A. B. Smith, Phys. Rev. B 46, 2787 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 2787
-
-
Vaughan, G.B.M.1
Heiney, P.A.2
McCauley Jr., J.P.3
Smith, A.B.4
-
7
-
-
0001771093
-
-
For a review on the different mesophases of discotic liquid crystals as well as some optical, mechanical, and structural properties see S. Chandrasekhar and G. S. Raganath, Rep. Prog. Phys. 53, 57 (1990).
-
(1990)
Rep. Prog. Phys.
, vol.53
, pp. 57
-
-
Chandrasekhar, S.1
Raganath, G.S.2
-
8
-
-
5544282476
-
-
note
-
If the interaction were attractive the system would collapse into a polymerlike chain or molecular crystal which is, of course, not the case in a discotic liquid crystal.
-
-
-
-
9
-
-
35949005974
-
-
N. Boden, R. J. Bushby, J. Clements, B. Movaghar, K. J. Donovan, and T. Kreouzis, Phys. Rev. B 52, 13 274 (1995).
-
(1995)
Phys. Rev. B
, vol.52
, pp. 13274
-
-
Boden, N.1
Bushby, R.J.2
Clements, J.3
Movaghar, B.4
Donovan, K.J.5
Kreouzis, T.6
-
10
-
-
0019269153
-
-
See also previous related works in H. J. Keller, D. Nöthe, H. Pritzkow, D. Wehe, M. Werner, P. Koch, and D. Schweitzer, Mol. Cryst. Liq. Cryst. 62, 181 (1980); C. Krohnke. V. Enkelmann, and G. Wegner, Angew. Chem. Int. Ed. Engl. 19, 912 (1980); J. van Keulen, T. W. Warmerdam, R. J. M. Nolte, and W. Drenth, Recl. Trav. Chim. Pays-Bas. 106, 534 (1987); D. Schweitzer, Mol. Cryst. Liq. Cryst. 120, 213 (1985).
-
(1980)
Mol. Cryst. Liq. Cryst.
, vol.62
, pp. 181
-
-
Keller, H.J.1
Nöthe, D.2
Pritzkow, H.3
Wehe, D.4
Werner, M.5
Koch, P.6
Schweitzer, D.7
-
11
-
-
84985520797
-
-
See also previous related works in H. J. Keller, D. Nöthe, H. Pritzkow, D. Wehe, M. Werner, P. Koch, and D. Schweitzer, Mol. Cryst. Liq. Cryst. 62, 181 (1980); C. Krohnke. V. Enkelmann, and G. Wegner, Angew. Chem. Int. Ed. Engl. 19, 912 (1980); J. van Keulen, T. W. Warmerdam, R. J. M. Nolte, and W. Drenth, Recl. Trav. Chim. Pays-Bas. 106, 534 (1987); D. Schweitzer, Mol. Cryst. Liq. Cryst. 120, 213 (1985).
-
(1980)
Angew. Chem. Int. Ed. Engl.
, vol.19
, pp. 912
-
-
Krohnke, C.1
Enkelmann, V.2
Wegner, G.3
-
12
-
-
0001226847
-
-
See also previous related works in H. J. Keller, D. Nöthe, H. Pritzkow, D. Wehe, M. Werner, P. Koch, and D. Schweitzer, Mol. Cryst. Liq. Cryst. 62, 181 (1980); C. Krohnke. V. Enkelmann, and G. Wegner, Angew. Chem. Int. Ed. Engl. 19, 912 (1980); J. van Keulen, T. W. Warmerdam, R. J. M. Nolte, and W. Drenth, Recl. Trav. Chim. Pays-Bas. 106, 534 (1987); D. Schweitzer, Mol. Cryst. Liq. Cryst. 120, 213 (1985).
-
(1987)
Recl. Trav. Chim. Pays-Bas.
, vol.106
, pp. 534
-
-
Van Keulen, J.1
Warmerdam, T.W.2
Nolte, R.J.M.3
Drenth, W.4
-
13
-
-
0019269153
-
-
See also previous related works in H. J. Keller, D. Nöthe, H. Pritzkow, D. Wehe, M. Werner, P. Koch, and D. Schweitzer, Mol. Cryst. Liq. Cryst. 62, 181 (1980); C. Krohnke. V. Enkelmann, and G. Wegner, Angew. Chem. Int. Ed. Engl. 19, 912 (1980); J. van Keulen, T. W. Warmerdam, R. J. M. Nolte, and W. Drenth, Recl. Trav. Chim. Pays-Bas. 106, 534 (1987); D. Schweitzer, Mol. Cryst. Liq. Cryst. 120, 213 (1985).
-
(1985)
Mol. Cryst. Liq. Cryst.
, vol.120
, pp. 213
-
-
Schweitzer, D.1
-
14
-
-
0000426148
-
-
N. Boden, R. C. Borner, D. R. Brown, R. J. Bushby, and J. Clements, Liq. Cryst. 11, 325 (1992).
-
(1992)
Liq. Cryst.
, vol.11
, pp. 325
-
-
Boden, N.1
Borner, R.C.2
Brown, D.R.3
Bushby, R.J.4
Clements, J.5
-
15
-
-
85087581074
-
-
note
-
∥ and σ⊥ increase above a certain frequency of the order of a few kHz [10].
-
-
-
-
16
-
-
0025252153
-
-
M. A. Abkowitz, M. J. Rice, and M. Stolka, Philos. Mag. B 61, 25 (1990); M. Gailberger and H. Bässler, Phys. Rev. B 44, 8643 (1991).
-
(1990)
Philos. Mag. B
, vol.61
, pp. 25
-
-
Abkowitz, M.A.1
Rice, M.J.2
Stolka, M.3
-
17
-
-
0000359170
-
-
M. A. Abkowitz, M. J. Rice, and M. Stolka, Philos. Mag. B 61, 25 (1990); M. Gailberger and H. Bässler, Phys. Rev. B 44, 8643 (1991).
-
(1991)
Phys. Rev. B
, vol.44
, pp. 8643
-
-
Gailberger, M.1
Bässler, H.2
-
18
-
-
0027166389
-
-
D. Adam, F. Closs, T. Frey, D. Funhoff, D. Haarer, H. Ringsdorf, P. Schuhmacher, and K. Siemensmeyer, Phys. Rev. Lett. 70, 457 (1993).
-
(1993)
Phys. Rev. Lett.
, vol.70
, pp. 457
-
-
Adam, D.1
Closs, F.2
Frey, T.3
Funhoff, D.4
Haarer, D.5
Ringsdorf, H.6
Schuhmacher, P.7
Siemensmeyer, K.8
-
20
-
-
0028129197
-
-
D. Adam, P. Schuhmacher, J. Simmerer, L. Häussling, K. Siemensmeyer, K. H. Etzbach, H. Ringsdorf, and D. Haarer, Nature (London) 371, 141 (1994).
-
(1994)
Nature (London)
, vol.371
, pp. 141
-
-
Adam, D.1
Schuhmacher, P.2
Simmerer, J.3
Häussling, L.4
Siemensmeyer, K.5
Etzbach, K.H.6
Ringsdorf, H.7
Haarer, D.8
-
21
-
-
0002870469
-
-
K. Otha, A. Takagi, H. Muroki, I. Yamamoto, and K. Matsuzaki, Mol. Cryst. Liq. Cryst. 147, 15 (1987).
-
(1987)
Mol. Cryst. Liq. Cryst.
, vol.147
, pp. 15
-
-
Otha, K.1
Takagi, A.2
Muroki, H.3
Yamamoto, I.4
Matsuzaki, K.5
-
22
-
-
0842341771
-
-
M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart, J. Am. Chem. Soc. 107, 3902 (1985).
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
24
-
-
3142701974
-
-
For calculations on polymers with the MNDO or previous methods see M. J. S. Dewar, G. P. Ford, and H. S. Rzepa, Chem. Phys. Lett. 50, 262 (1977); M. J. S. Dewar, S. H. Suck, and P. K. Weiner, ibid. 29, 220 (1974); M. J. S. Dewar, Y. Yamaguchi, and S. H. Suck, ibid. 50, 259 (1977).
-
(1977)
Chem. Phys. Lett.
, vol.50
, pp. 262
-
-
Dewar, M.J.S.1
Ford, G.P.2
Rzepa, H.S.3
-
25
-
-
0008120972
-
-
For calculations on polymers with the MNDO or previous methods see M. J. S. Dewar, G. P. Ford, and H. S. Rzepa, Chem. Phys. Lett. 50, 262 (1977); M. J. S. Dewar, S. H. Suck, and P. K. Weiner, ibid. 29, 220 (1974); M. J. S. Dewar, Y. Yamaguchi, and S. H. Suck, ibid. 50, 259 (1977).
-
(1974)
Chem. Phys. Lett.
, vol.29
, pp. 220
-
-
Dewar, M.J.S.1
Suck, S.H.2
Weiner, P.K.3
-
26
-
-
0001097116
-
-
For calculations on polymers with the MNDO or previous methods see M. J. S. Dewar, G. P. Ford, and H. S. Rzepa, Chem. Phys. Lett. 50, 262 (1977); M. J. S. Dewar, S. H. Suck, and P. K. Weiner, ibid. 29, 220 (1974); M. J. S. Dewar, Y. Yamaguchi, and S. H. Suck, ibid. 50, 259 (1977).
-
(1977)
Chem. Phys. Lett.
, vol.50
, pp. 259
-
-
Dewar, M.J.S.1
Yamaguchi, Y.2
Suck, S.H.3
-
27
-
-
5544257268
-
-
M. J. S. Dewar, S. H. Suck, P. K. Weiner, and J. G. Bergman, Jr., Chem. Phys. Lett. 38, 226 (1976); M. J. S. Dewar and J. J. P. Stewart, ibid. 111, 416 (1984); M. J. S. Dewar, Y. Yamaguchi, and S. H. Suck, ibid. 59, 541 (1978).
-
(1976)
Chem. Phys. Lett.
, vol.38
, pp. 226
-
-
Dewar, M.J.S.1
Suck, S.H.2
Weiner, P.K.3
Bergman Jr., J.G.4
-
28
-
-
0000533465
-
-
M. J. S. Dewar, S. H. Suck, P. K. Weiner, and J. G. Bergman, Jr., Chem. Phys. Lett. 38, 226 (1976); M. J. S. Dewar and J. J. P. Stewart, ibid. 111, 416 (1984); M. J. S. Dewar, Y. Yamaguchi, and S. H. Suck, ibid. 59, 541 (1978).
-
(1984)
Chem. Phys. Lett.
, vol.111
, pp. 416
-
-
Dewar, M.J.S.1
Stewart, J.J.P.2
-
29
-
-
0004933611
-
-
M. J. S. Dewar, S. H. Suck, P. K. Weiner, and J. G. Bergman, Jr., Chem. Phys. Lett. 38, 226 (1976); M. J. S. Dewar and J. J. P. Stewart, ibid. 111, 416 (1984); M. J. S. Dewar, Y. Yamaguchi, and S. H. Suck, ibid. 59, 541 (1978).
-
(1978)
Chem. Phys. Lett.
, vol.59
, pp. 541
-
-
Dewar, M.J.S.1
Yamaguchi, Y.2
Suck, S.H.3
-
30
-
-
0004086603
-
-
W. A. Benjamin, New York
-
The underlying theory of the semiempirical molecular orbitals theories like AM1 and MNDO can be found in any of the classic books in the field like R. G. Parr, The Quantum Theory of Molecular Electronic Structure (W. A. Benjamin, New York, 1963); M. J. S. Dewar, The Molecular Orbital Theory of Organic Chemistry (McGraw-Hill, New York, 1969); J. N. Murrell and A. J. Harget, Semiempirical Self-Consistent-Field Molecular Orbital Theory of Molecules (Wiley, New York, 1972); T. Clark, A Handbook of Computational Chemistry (Wiley, New York, 1985).
-
(1963)
The Quantum Theory of Molecular Electronic Structure
-
-
Parr, R.G.1
-
31
-
-
0003456926
-
-
McGraw-Hill, New York
-
The underlying theory of the semiempirical molecular orbitals theories like AM1 and MNDO can be found in any of the classic books in the field like R. G. Parr, The Quantum Theory of Molecular Electronic Structure (W. A. Benjamin, New York, 1963); M. J. S. Dewar, The Molecular Orbital Theory of Organic Chemistry (McGraw-Hill, New York, 1969); J. N. Murrell and A. J. Harget, Semiempirical Self-Consistent-Field Molecular Orbital Theory of Molecules (Wiley, New York, 1972); T. Clark, A Handbook of Computational Chemistry (Wiley, New York, 1985).
-
(1969)
The Molecular Orbital Theory of Organic Chemistry
-
-
Dewar, M.J.S.1
-
32
-
-
0003534937
-
-
Wiley, New York
-
The underlying theory of the semiempirical molecular orbitals theories like AM1 and MNDO can be found in any of the classic books in the field like R. G. Parr, The Quantum Theory of Molecular Electronic Structure (W. A. Benjamin, New York, 1963); M. J. S. Dewar, The Molecular Orbital Theory of Organic Chemistry (McGraw-Hill, New York, 1969); J. N. Murrell and A. J. Harget, Semiempirical Self-Consistent-Field Molecular Orbital Theory of Molecules (Wiley, New York, 1972); T. Clark, A Handbook of Computational Chemistry (Wiley, New York, 1985).
-
(1972)
Semiempirical Self-Consistent-Field Molecular Orbital Theory of Molecules
-
-
Murrell, J.N.1
Harget, A.J.2
-
33
-
-
0003775343
-
-
Wiley, New York
-
The underlying theory of the semiempirical molecular orbitals theories like AM1 and MNDO can be found in any of the classic books in the field like R. G. Parr, The Quantum Theory of Molecular Electronic Structure (W. A. Benjamin, New York, 1963); M. J. S. Dewar, The Molecular Orbital Theory of Organic Chemistry (McGraw-Hill, New York, 1969); J. N. Murrell and A. J. Harget, Semiempirical Self-Consistent-Field Molecular Orbital Theory of Molecules (Wiley, New York, 1972); T. Clark, A Handbook of Computational Chemistry (Wiley, New York, 1985).
-
(1985)
A Handbook of Computational Chemistry
-
-
Clark, T.1
-
35
-
-
0003055536
-
-
edited by K. B. Lipkowitz and D. B. Boyd VCH, New York
-
J. J. P. Stewart, in Reviews in Computational Chemistry , edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1990), Vol. 1, p. 45.
-
(1990)
Reviews in Computational Chemistry
, vol.1
, pp. 45
-
-
Stewart, J.J.P.1
-
36
-
-
21344445134
-
-
edited by I. Prigogine and Stuart A. Rice Wiley. New York
-
W. Thiel, in Advances in Chemical Physics, edited by I. Prigogine and Stuart A. Rice (Wiley. New York, 1996), p. 703.
-
(1996)
Advances in Chemical Physics
, pp. 703
-
-
Thiel, W.1
-
37
-
-
0003702114
-
-
Obtainable (QCPE), Dept. of Chemistry, Indiana University, Bloomington, Indiana 47405
-
Obtainable from The Quantum Chemistry Program Exchange (QCPE), Dept. of Chemistry, Indiana University, Bloomington, Indiana 47405.
-
The Quantum Chemistry Program Exchange
-
-
-
38
-
-
0000941193
-
-
J. H. Callomon, T. M. Mills, and I. M. Mills, Philos. Trans. R. Soc. London, Ser. A 259, 499 (1966); D. M. Burland and G. W. Robinson, J. Chem. Phys. 51, 4548 (1969); C. S. Parmenter, K. Tang, and W. R. Ware, Chem. Phys. 17, 359 (1976); J. R. Lombardi, T. W. Hänsch, R. Wallenstein, and D. M. Friedrich, J. Chem. Phys. 65, 2357 (1976); E. Riedle, H. J. Neusser, and E. W. Schlag, ibid. 75, 4231 (1981).
-
(1966)
Philos. Trans. R. Soc. London, Ser. A
, vol.259
, pp. 499
-
-
Callomon, J.H.1
Mills, T.M.2
Mills, I.M.3
-
39
-
-
0000307515
-
-
J. H. Callomon, T. M. Mills, and I. M. Mills, Philos. Trans. R. Soc. London, Ser. A 259, 499 (1966); D. M. Burland and G. W. Robinson, J. Chem. Phys. 51, 4548 (1969); C. S. Parmenter, K. Tang, and W. R. Ware, Chem. Phys. 17, 359 (1976); J. R. Lombardi, T. W. Hänsch, R. Wallenstein, and D. M. Friedrich, J. Chem. Phys. 65, 2357 (1976); E. Riedle, H. J. Neusser, and E. W. Schlag, ibid. 75, 4231 (1981).
-
(1969)
J. Chem. Phys.
, vol.51
, pp. 4548
-
-
Burland, D.M.1
Robinson, G.W.2
-
40
-
-
5544220176
-
-
J. H. Callomon, T. M. Mills, and I. M. Mills, Philos. Trans. R. Soc. London, Ser. A 259, 499 (1966); D. M. Burland and G. W. Robinson, J. Chem. Phys. 51, 4548 (1969); C. S. Parmenter, K. Tang, and W. R. Ware, Chem. Phys. 17, 359 (1976); J. R. Lombardi, T. W. Hänsch, R. Wallenstein, and D. M. Friedrich, J. Chem. Phys. 65, 2357 (1976); E. Riedle, H. J. Neusser, and E. W. Schlag, ibid. 75, 4231 (1981).
-
(1976)
Chem. Phys.
, vol.17
, pp. 359
-
-
Parmenter, C.S.1
Tang, K.2
Ware, W.R.3
-
41
-
-
0000905565
-
-
J. H. Callomon, T. M. Mills, and I. M. Mills, Philos. Trans. R. Soc. London, Ser. A 259, 499 (1966); D. M. Burland and G. W. Robinson, J. Chem. Phys. 51, 4548 (1969); C. S. Parmenter, K. Tang, and W. R. Ware, Chem. Phys. 17, 359 (1976); J. R. Lombardi, T. W. Hänsch, R. Wallenstein, and D. M. Friedrich, J. Chem. Phys. 65, 2357 (1976); E. Riedle, H. J. Neusser, and E. W. Schlag, ibid. 75, 4231 (1981).
-
(1976)
J. Chem. Phys.
, vol.65
, pp. 2357
-
-
Lombardi, J.R.1
Hänsch, T.W.2
Wallenstein, R.3
Friedrich, D.M.4
-
42
-
-
0000090647
-
-
J. H. Callomon, T. M. Mills, and I. M. Mills, Philos. Trans. R. Soc. London, Ser. A 259, 499 (1966); D. M. Burland and G. W. Robinson, J. Chem. Phys. 51, 4548 (1969); C. S. Parmenter, K. Tang, and W. R. Ware, Chem. Phys. 17, 359 (1976); J. R. Lombardi, T. W. Hänsch, R. Wallenstein, and D. M. Friedrich, J. Chem. Phys. 65, 2357 (1976); E. Riedle, H. J. Neusser, and E. W. Schlag, ibid. 75, 4231 (1981).
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 4231
-
-
Riedle, E.1
Neusser, H.J.2
Schlag, E.W.3
-
43
-
-
0000501385
-
-
Y. Endo, S. Saito, and E. Hirota, J. Chem. Phys. 81, 122 (1984); G. Inone, H. Akimoto, and M. Okuda, ibid. 72, 1769 (1980); P. G. Carrick, S. D. Brossard, and P. C. Engelking, ibid. 83, 1995 (1985).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 122
-
-
Endo, Y.1
Saito, S.2
Hirota, E.3
-
44
-
-
34249894671
-
-
Y. Endo, S. Saito, and E. Hirota, J. Chem. Phys. 81, 122 (1984); G. Inone, H. Akimoto, and M. Okuda, ibid. 72, 1769 (1980); P. G. Carrick, S. D. Brossard, and P. C. Engelking, ibid. 83, 1995 (1985).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 1769
-
-
Inone, G.1
Akimoto, H.2
Okuda, M.3
-
45
-
-
0043142665
-
-
Y. Endo, S. Saito, and E. Hirota, J. Chem. Phys. 81, 122 (1984); G. Inone, H. Akimoto, and M. Okuda, ibid. 72, 1769 (1980); P. G. Carrick, S. D. Brossard, and P. C. Engelking, ibid. 83, 1995 (1985).
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 1995
-
-
Carrick, P.G.1
Brossard, S.D.2
Engelking, P.C.3
-
47
-
-
0012343437
-
-
V. P. Spiridonov, A. G. Gershikov, E. Z. Zasorin, N. I. Popenko, A. A. Ivanov, and L. I. Ermolayeva, High. Temp. Sci. 14, 285 (1981).
-
(1981)
High. Temp. Sci.
, vol.14
, pp. 285
-
-
Spiridonov, V.P.1
Gershikov, A.G.2
Zasorin, E.Z.3
Popenko, N.I.4
Ivanov, A.A.5
Ermolayeva, L.I.6
-
49
-
-
5544245291
-
-
note
-
The differences between the optimized geometries predicted by the MNDO and AMI Hamiltonians are minor. The relative orientation of the three hydrogens in the CH3 endings with respect to the plane defined by the aromatic rings tends to be different in the AMI and MNDO calculations. This is the main difference in the optimized geometries obtained by the two methods and is of no consequence in the overall electronic structure. All the other angles and all bond distances are within a few percent when compared in the two calculations.
-
-
-
-
50
-
-
4243168014
-
-
Ref. [33]
-
The optical properties of any substance in the transparency region and, in particular, the anisotropies of the dielectric tensor and the dispersion depend mainly on the first optically allowed transitions. See Optics and Nonlinear Optics of Liquid Crystals (Ref. [33]), p. 75 and M. Cardona in Atomic Structure and Properties of Solids, edited by E. Burstein (Academic, New York, 1972), p. 513.
-
Optics and Nonlinear Optics of Liquid Crystals
, pp. 75
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-
51
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0002579213
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edited by E. Burstein Academic, New York
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The optical properties of any substance in the transparency region and, in particular, the anisotropies of the dielectric tensor and the dispersion depend mainly on the first optically allowed transitions. See Optics and Nonlinear Optics of Liquid Crystals (Ref. [33]), p. 75 and M. Cardona in Atomic Structure and Properties of Solids, edited by E. Burstein (Academic, New York, 1972), p. 513.
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(1972)
Atomic Structure and Properties of Solids
, pp. 513
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-
Cardona, M.1
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53
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84973554745
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Ref. [35]
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As is well known in molecular physics the excited states must include the configuration interaction which is produced by the change in the self-consistent Hartree-Fock field obtained by removing an electron from the highest occupied to the lowest unoccupied molecular orbitals. The Hamiltonian is rediagonalized in a truncated basis of states usually chosen to include mono- and di-excitations. The resulting eigenvalues are the energies of the excited states and can give the exact position of the absorption edge. See Modern Molecular Photochemistry (Ref. [35]) for further details.
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Modern Molecular Photochemistry
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-
56
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0009905616
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S. H. J. Idziak, P. A. Heiney, J. P. McCauley Jr., P. Carroll, and A. B. Smith, Mol. Cryst. Liq. Cryst. 237, 271 (1993).
-
(1993)
Mol. Cryst. Liq. Cryst.
, vol.237
, pp. 271
-
-
Idziak, S.H.J.1
Heiney, P.A.2
McCauley Jr., J.P.3
Carroll, P.4
Smith, A.B.5
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58
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-
35949025729
-
-
S. Alexander, J. Bernasconi, W. R. Schneider, and R. Orbach, Rev. Mod. Phys. 53, 175 (1981).
-
(1981)
Rev. Mod. Phys.
, vol.53
, pp. 175
-
-
Alexander, S.1
Bernasconi, J.2
Schneider, W.R.3
Orbach, R.4
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