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Error

68 {61}

The following reference is missing: Luo, F., McBane, G. C., Kim, G., Giese, C. F., and Gentry, W. R. 1993. J. Chem. Phys., 98, 3564.

83 {77}

In Eqs. (3.35) to (3.37) the dipole moment should be qr, not q/r

168 {156}

The caption to Figure 6.1 should begin: "Behavior of e^-x..." (i.e., not e^x)

217 {205}

Eq. (7.24). The eigenvalue "a" on the r.h.s. should have a subscript zero to indicate the ground state.

229 {215}

Lines 3 to 6 {17 to 20}. Two sentences should be changed to read: Thus, if we apply this formula to going from an (s,p,d) saturated basis set to an (s,p,d,f) basis set, our error drops by 64%, i.e., we recover a little less than two-thirds of the missing correlation energy. Going from (s,p,d,f) to (s,p,d,f,g), the improvement drops to 53%, or, compared to the (s,p,d) starting point, about five-sixths of the original error.

298

In the reference in Table 8.7 for the PW91 correlation functional, the editor's name is "Eschrig" not "Eschig".

311

Eq. (9.10). The "min" function on the r.h.s. should be "max".

314 {282}

Eq. (9.17) {Eq. (9.11)}. The last line should sum over the orthogonalized functions, chi-subscript-s, not chi-subscript-r. The equation is also somewhat more clear if the order of the "c" and "S^1/2" terms in the sum are reversed.

330 {295}

Line 9. Reference should be made to Section 8.5.5 (not 8.5.6).

359 {323}

Eq. (10.9). Both the last term on the second line of the equation and the first term on the fifth line of the equation should be subscripted "rot" not "elec".

509 {461}

In the line below Eq. (14.28), the words "expectation value" should be replaced by "overlap integral".

525 {477}

Eq. (15.17). The r.h.s. should have "-" instead of "+" before the term k_BTlnQ.

525 {477}

Eq. (15.18). The r.h.s. of the first line of the equation should have "+" instead of "-" before each of the two PV terms in the argument of the exponential function.