Применение неэмпирических и полуэмпирических методов в квантово-химических расчетах. Кобзев Г.И. - 129 стр.

- одноэлектронные интегралы
         ********************
         1 ELECTRON INTEGRALS
         ********************
 ...... END OF ONE-ELECTRON INTEGRALS ......

CPU    TIME: STEP = 0.01 , TOTAL =     0.1 SECONDS ( 0.0 MIN)
WALL CLOCK TIME: STEP =    0.01 , TOTAL =    0.1 SECONDS ( 0.0
MIN)
CPU UTILIZATION: STEP = 91.77%, TOTAL = 132.33%


        ----------------------
        CORRESPONDING ORBITALS
        ----------------------
THE CORRESPONDING ORBITAL OVERLAPS ARE
 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000
 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000
...... END OF ORBITAL SELECTION ......

CPU    TIME: STEP = 0.01 , TOTAL =     0.1 SECONDS ( 0.0 MIN)
WALL CLOCK TIME: STEP =    0.01 , TOTAL =    0.1 SECONDS ( 0.0
MIN)
CPU UTILIZATION: STEP = 117.98%, TOTAL = 131.10%


- двухэлектронные интегралы
      --------------------
      2 ELECTRON INTEGRALS
      --------------------

THE -PK- OPTION IS OFF, THE INTEGRALS ARE NOT IN SUPERMATRIX
FORM.
STORING 4998 INTEGRALS/RECORD ON DISK, USING 12
BYTES/INTEGRAL.
TWO ELECTRON INTEGRAL EVALUATION REQUIRES 34529 WORDS
OF MEMORY.
II,JST,KST,LST = 1 1 1 1 NREC =   1 INTLOC = 1
II,JST,KST,LST = 2 1 1 1 NREC =   1 INTLOC = 2
II,JST,KST,LST = 3 1 1 1 NREC =   1 INTLOC = 7
II,JST,KST,LST = 4 1 1 1 NREC =   1 INTLOC = 22
II,JST,KST,LST = 5 1 1 1 NREC =   1 INTLOC = 56
II,JST,KST,LST = 6 1 1 1 NREC =   1 INTLOC = 121
II,JST,KST,LST = 7 1 1 1 NREC =   1 INTLOC = 220
II,JST,KST,LST = 8 1 1 1 NREC =   1 INTLOC = 496
                                                                    129